2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

C25H29N7O3 — CID 171034192

IUPAC2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CC[C@H](N(C)C(C)=O)C[C@@H]3C)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C25H29N7O3/c1-15-10-18(30(3)16(2)33)6-7-22(15)32-14-17-11-19(23(35-4)12-20(17)29-32)25(34)28-21-13-27-31-9-5-8-26-24(21)31/h5,8-9,11-15,18,22H,6-7,10H2,1-4H3,(H,28,34)/t15-,18-,22-/m0/s1
InChIKeyFIVIJBWMASFJKT-VPKVUBIPSA-N
MW475.55 g/mol
LogP3.55
Rot. Bonds5

About 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (PubChem CID 171034192) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
PubChem CID171034192
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CC[C@H](N(C)C(C)=O)C[C@@H]3C)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C25H29N7O3/c1-15-10-18(30(3)16(2)33)6-7-22(15)32-14-17-11-19(23(35-4)12-20(17)29-32)25(34)28-21-13-27-31-9-5-8-26-24(21)31/h5,8-9,11-15,18,22H,6-7,10H2,1-4H3,(H,28,34)/t15-,18-,22-/m0/s1
InChIKeyFIVIJBWMASFJKT-VPKVUBIPSA-N
XLogP3.55
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide with MolForge

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Related Compounds

6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396571
2-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034189
2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396346
2-[(1R,2R)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxyindazole-5-carboxylic acid
CID 169132428
[(2R)-1-[[4-[6-methoxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]methylamino]-1-oxopropan-2-yl] acetate
CID 163396260
2-[(1S,2S,4R)-4-hydroxy-2-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396460
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
CID 163396451
tert-butyl (6R,7R)-7-[6-cyclopropyloxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate;molecular hydrogen
CID 163396527
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxamide
CID 163396291
tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 164791971
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
2-[4-[[(2S)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396505

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The IUPAC name of 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (CID 171034192) is 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.
What is the SMILES notation for 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The canonical SMILES for 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is COc1cc2nn([C@H]3CC[C@H](N(C)C(C)=O)C[C@@H]3C)cc2cc1C(=O)Nc1cnn2cccnc12.
What is the InChIKey of 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The InChIKey is FIVIJBWMASFJKT-VPKVUBIPSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-15-10-18(30(3)16(2)33)6-7-22(15)32-14-17-11-19(23(35-4)12-20(17)29-32)25(34)28-21-13-27-31-9-5-8-26-24(21)31/h5,8-9,11-15,18,22H,6-7,10H2,1-4H3,(H,28,34)/t15-,18-,22-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 171034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).