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

C27H27N7O — CID 86282535

IUPAC3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)cc23)ccn1
InChIInChI=1S/C27H27N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h5-11,13-15,18,22H,2-4,12,16H2,1H3,(H,31,35)(H,32,33)
InChIKeyBOHBNVKSQSHMNB-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.67
Rot. Bonds5

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

3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 86282535) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID86282535
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)cc23)ccn1
InChIInChI=1S/C27H27N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h5-11,13-15,18,22H,2-4,12,16H2,1H3,(H,31,35)(H,32,33)
InChIKeyBOHBNVKSQSHMNB-UHFFFAOYSA-N
XLogP4.67
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide (CID 86282535) is 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)cc23)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is BOHBNVKSQSHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h5-11,13-15,18,22H,2-4,12,16H2,1H3,(H,31,35)(H,32,33).
What are the key properties of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 86282535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).