N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide

C22H27N5O3 — CID 176790912

IUPACN-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCC(OC[C@@H](C)O)CC3)cn2)c2ccccc12
InChIInChI=1S/C22H27N5O3/c1-14(28)13-30-18-9-7-17(8-10-18)25-21(29)16-11-23-22(24-12-16)27-20-6-4-3-5-19(20)15(2)26-27/h3-6,11-12,14,17-18,28H,7-10,13H2,1-2H3,(H,25,29)/t14-,17?,18?/m1/s1
InChIKeyRCGQWDFRPUUMDA-RWBZWWBESA-N
MW409.49 g/mol
LogP2.56
Rot. Bonds6

About N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide

N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide (PubChem CID 176790912) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
PubChem CID176790912
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCC(OC[C@@H](C)O)CC3)cn2)c2ccccc12
InChIInChI=1S/C22H27N5O3/c1-14(28)13-30-18-9-7-17(8-10-18)25-21(29)16-11-23-22(24-12-16)27-20-6-4-3-5-19(20)15(2)26-27/h3-6,11-12,14,17-18,28H,7-10,13H2,1-2H3,(H,25,29)/t14-,17?,18?/m1/s1
InChIKeyRCGQWDFRPUUMDA-RWBZWWBESA-N
XLogP2.56
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
CID 176790792
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
CID 176790813
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
N-cycloheptyl-2-(3-methylindazol-1-yl)propanamide
CID 22509795
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide (CID 176790912) is N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide is Cc1nn(-c2ncc(C(=O)NC3CCC(OC[C@@H](C)O)CC3)cn2)c2ccccc12.
What is the InChIKey of N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RCGQWDFRPUUMDA-RWBZWWBESA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14(28)13-30-18-9-7-17(8-10-18)25-21(29)16-11-23-22(24-12-16)27-20-6-4-3-5-19(20)15(2)26-27/h3-6,11-12,14,17-18,28H,7-10,13H2,1-2H3,(H,25,29)/t14-,17?,18?/m1/s1.
What are the key properties of N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide?
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 176790912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).