N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C27H27N7O2 — CID 57411147

IUPACN-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6cccnc65)C4)cc23)ccn1
InChIInChI=1S/C27H27N7O2/c1-17-12-18(8-11-28-17)24-22-13-19(6-7-23(22)32-33-24)26(35)31-21-5-2-9-27(36,14-21)16-34-25-20(15-30-34)4-3-10-29-25/h3-4,6-8,10-13,15,21,36H,2,5,9,14,16H2,1H3,(H,31,35)(H,32,33)/t21-,27+/m1/s1
InChIKeyLIVQYIOTCKUGFL-ZBLYBZFDSA-N
MW481.56 g/mol
LogP3.78
Rot. Bonds5

About N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 57411147) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID57411147
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6cccnc65)C4)cc23)ccn1
InChIInChI=1S/C27H27N7O2/c1-17-12-18(8-11-28-17)24-22-13-19(6-7-23(22)32-33-24)26(35)31-21-5-2-9-27(36,14-21)16-34-25-20(15-30-34)4-3-10-29-25/h3-4,6-8,10-13,15,21,36H,2,5,9,14,16H2,1H3,(H,31,35)(H,32,33)/t21-,27+/m1/s1
InChIKeyLIVQYIOTCKUGFL-ZBLYBZFDSA-N
XLogP3.78
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 57411147) is N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[C@@](O)(Cn5ncc6cccnc65)C4)cc23)ccn1.
What is the InChIKey of N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is LIVQYIOTCKUGFL-ZBLYBZFDSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-12-18(8-11-28-17)24-22-13-19(6-7-23(22)32-33-24)26(35)31-21-5-2-9-27(36,14-21)16-34-25-20(15-30-34)4-3-10-29-25/h3-4,6-8,10-13,15,21,36H,2,5,9,14,16H2,1H3,(H,31,35)(H,32,33)/t21-,27+/m1/s1.
What are the key properties of N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-hydroxy-3-(pyrazolo[5,4-b]pyridin-1-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 57411147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).