bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate

C96H120N20O10 — CID 160665209

IUPACbis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3n[nH]c(CCC(=O)OC)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)OCC)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1
InChIInChI=1S/2C24H29N5O3.2C23H27N5O2.2CH4/c1-3-10-29(14-16-4-5-16)23-13-21(25-15-26-23)22(30)12-17-6-7-19-18(11-17)20(28-27-19)8-9-24(31)32-2;1-3-9-28(13-17-5-6-17)23-12-21(25-16-26-23)22(30)11-18-7-8-20-19(10-18)14-29(27-20)15-24(31)32-4-2;2*1-3-8-27(13-17-4-5-17)23-11-21(24-15-25-23)22(30)10-18-6-7-20-19(9-18)14-28(26-20)12-16(2)29;;/h6-7,11,13,15-16H,3-5,8-10,12,14H2,1-2H3,(H,27,28);7-8,10,12,14,16-17H,3-6,9,11,13,15H2,1-2H3;2*6-7,9,11,14-15,17H,3-5,8,10,12-13H2,1-2H3;2*1H4
InChIKeyRMEXGMHMLKOVSR-UHFFFAOYSA-N
MW1714.15 g/mol
LogP15.16
Rot. Bonds42

About bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate

bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate (PubChem CID 160665209) has the molecular formula C96H120N20O10 and a molecular weight of 1714.15 g/mol. Its IUPAC name is bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate.

Molecular Properties

Compound Namebis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate
PubChem CID160665209
Molecular FormulaC96H120N20O10
Molecular Weight1714.15 g/mol
Exact Mass1712.95
IUPAC Namebis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3n[nH]c(CCC(=O)OC)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)OCC)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1
InChIInChI=1S/2C24H29N5O3.2C23H27N5O2.2CH4/c1-3-10-29(14-16-4-5-16)23-13-21(25-15-26-23)22(30)12-17-6-7-19-18(11-17)20(28-27-19)8-9-24(31)32-2;1-3-9-28(13-17-5-6-17)23-12-21(25-16-26-23)22(30)11-18-7-8-20-19(10-18)14-29(27-20)15-24(31)32-4-2;2*1-3-8-27(13-17-4-5-17)23-11-21(24-15-25-23)22(30)10-18-6-7-20-19(9-18)14-28(26-20)12-16(2)29;;/h6-7,11,13,15-16H,3-5,8-10,12,14H2,1-2H3,(H,27,28);7-8,10,12,14,16-17H,3-6,9,11,13,15H2,1-2H3;2*6-7,9,11,14-15,17H,3-5,8,10,12-13H2,1-2H3;2*1H4
InChIKeyRMEXGMHMLKOVSR-UHFFFAOYSA-N
XLogP15.16
TPSA353.24 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.15
LogP ≤ 515.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate with MolForge

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Related Compounds

N-ethyl-3-methyl-N-[2-[5-morpholin-4-yl-1-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbonyl]piperidin-3-yl]ethyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387396
2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane
CID 157131683
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157265858
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157412300
N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157421556
[1-(7-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate;[2-(7-methyl-1H-indazol-5-yl)-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 157678222
N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157743750
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157809875
N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157851864
N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 157881209
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157888665
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 158397388

Frequently Asked Questions

What is the IUPAC name of bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate?
The IUPAC name of bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate (CID 160665209) is bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate.
What is the SMILES notation for bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate?
The canonical SMILES for bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate is C.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3n[nH]c(CCC(=O)OC)c3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)OCC)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(C)=O)cc3c2)ncn1.
What is the InChIKey of bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate?
The InChIKey is RMEXGMHMLKOVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29N5O3.2C23H27N5O2.2CH4/c1-3-10-29(14-16-4-5-16)23-13-21(25-15-26-23)22(30)12-17-6-7-19-18(11-17)20(28-27-19)8-9-24(31)32-2;1-3-9-28(13-17-5-6-17)23-12-21(25-16-26-23)22(30)11-18-7-8-20-19(10-18)14-29(27-20)15-24(31)32-4-2;2*1-3-8-27(13-17-4-5-17)23-11-21(24-15-25-23)22(30)10-18-6-7-20-19(9-18)14-28(26-20)12-16(2)29;;/h6-7,11,13,15-16H,3-5,8-10,12,14H2,1-2H3,(H,27,28);7-8,10,12,14,16-17H,3-6,9,11,13,15H2,1-2H3;2*6-7,9,11,14-15,17H,3-5,8,10,12-13H2,1-2H3;2*1H4.
What are the key properties of bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate?
bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate has a molecular weight of 1714.15 g/mol, XLogP of 15.16, 42 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]propan-2-one);ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;methane;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate is sourced from PubChem (CID 160665209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).