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

C22H24N6O3 — CID 163396346

IUPAC2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CCC[C@](C)(O)C3)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C22H24N6O3/c1-22(30)6-3-5-15(11-22)28-13-14-9-16(19(31-2)10-17(14)26-28)21(29)25-18-12-24-27-8-4-7-23-20(18)27/h4,7-10,12-13,15,30H,3,5-6,11H2,1-2H3,(H,25,29)/t15-,22-/m0/s1
InChIKeyVLKVWRGQDBBNDB-NYHFZMIOSA-N
MW420.47 g/mol
LogP3.21
Rot. Bonds4

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

2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (PubChem CID 163396346) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
PubChem CID163396346
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CCC[C@](C)(O)C3)cc2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C22H24N6O3/c1-22(30)6-3-5-15(11-22)28-13-14-9-16(19(31-2)10-17(14)26-28)21(29)25-18-12-24-27-8-4-7-23-20(18)27/h4,7-10,12-13,15,30H,3,5-6,11H2,1-2H3,(H,25,29)/t15-,22-/m0/s1
InChIKeyVLKVWRGQDBBNDB-NYHFZMIOSA-N
XLogP3.21
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034189
6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396571
2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034192
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
[(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
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
tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate
CID 170740909
N-[6-(cyclopropylmethoxy)-2-(4-formylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167251117
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-[6-(cyclopropylmethoxy)-2-methylindazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536715
N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155752308
2-(3-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 167108752

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The IUPAC name of 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (CID 163396346) is 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.
What is the SMILES notation for 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The canonical SMILES for 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is COc1cc2nn([C@H]3CCC[C@](C)(O)C3)cc2cc1C(=O)Nc1cnn2cccnc12.
What is the InChIKey of 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
The InChIKey is VLKVWRGQDBBNDB-NYHFZMIOSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-22(30)6-3-5-15(11-22)28-13-14-9-16(19(31-2)10-17(14)26-28)21(29)25-18-12-24-27-8-4-7-23-20(18)27/h4,7-10,12-13,15,30H,3,5-6,11H2,1-2H3,(H,25,29)/t15-,22-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?
2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 163396346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).