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

C96H122N22O8 — CID 157131683

IUPAC2-[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
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1
InChIInChI=1S/2C24H30N6O2.2C23H27N5O2.2CH4/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;2*1-3-8-27(14-17-4-5-17)23-11-20(24-15-25-23)22(30)10-18-6-7-21-19(9-18)12-26-28(21)13-16(2)29;;/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;2*6-7,9,11-12,15,17H,3-5,8,10,13-14H2,1-2H3;2*1H4
InChIKeyAJDNFXISGHGNSY-UHFFFAOYSA-N
MW1712.18 g/mol
LogP14.14
Rot. Bonds40

About 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

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 (PubChem CID 157131683) has the molecular formula C96H122N22O8 and a molecular weight of 1712.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157131683
Molecular FormulaC96H122N22O8
Molecular Weight1712.18 g/mol
Exact Mass1710.98
IUPAC Name2-[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
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1
InChIInChI=1S/2C24H30N6O2.2C23H27N5O2.2CH4/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;2*1-3-8-27(14-17-4-5-17)23-11-20(24-15-25-23)22(30)10-18-6-7-21-19(9-18)12-26-28(21)13-16(2)29;;/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;2*6-7,9,11-12,15,17H,3-5,8,10,13-14H2,1-2H3;2*1H4
InChIKeyAJDNFXISGHGNSY-UHFFFAOYSA-N
XLogP14.14
TPSA330.40 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.18
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Related Compounds

(1R,2S,5S)-3-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)-3-azabicyclo[3.1.0] hexane-2-carboxamide
CID 126642790
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-((Z)-2-fluoro-3-phenylbut-2-en-1-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643085
(1R,3S,5R)-2-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-((E)-2-fluoro-3-phenylbut-2-en-1-yl)-2-azabicyclo[3.1.0] hexane-3-carboxamide
CID 126643194
US11053253, Cmp No. T-238
CID 147625499
US11053253, Cmp No. T-51
CID 147700814
US11053253, Cmp No. T-237
CID 148684434
US11053253, Cmp No. T-186
CID 153306527
US11053253, Cmp No. T-125
CID 153306584
US11053253, Cmp No. T-242
CID 153306645
US11053253, Cmp No. T-219
CID 153306671
US11053253, Cmp No. T-93
CID 153306724
US11053253, Cmp No. T-256
CID 153306768

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.
What is the InChIKey of 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?
The InChIKey is AJDNFXISGHGNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.2C23H27N5O2.2CH4/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;2*1-3-8-27(14-17-4-5-17)23-11-20(24-15-25-23)22(30)10-18-6-7-21-19(9-18)12-26-28(21)13-16(2)29;;/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;2*6-7,9,11-12,15,17H,3-5,8,10,13-14H2,1-2H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 1712.18 g/mol, XLogP of 14.14, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157131683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).