N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide

C26H29N7O2 — CID 70810910

IUPACN-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(NC(=O)C5CCN(C)CC5)n4)cnc32)cc1
InChIInChI=1S/C26H29N7O2/c1-17-22-12-20(13-28-25(22)33(31-17)16-18-4-6-21(35-3)7-5-18)23-14-27-15-24(29-23)30-26(34)19-8-10-32(2)11-9-19/h4-7,12-15,19H,8-11,16H2,1-3H3,(H,29,30,34)
InChIKeyJQSYXTUYSAUQEJ-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.53
Rot. Bonds6

About N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide

N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 70810910) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID70810910
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(NC(=O)C5CCN(C)CC5)n4)cnc32)cc1
InChIInChI=1S/C26H29N7O2/c1-17-22-12-20(13-28-25(22)33(31-17)16-18-4-6-21(35-3)7-5-18)23-14-27-15-24(29-23)30-26(34)19-8-10-32(2)11-9-19/h4-7,12-15,19H,8-11,16H2,1-3H3,(H,29,30,34)
InChIKeyJQSYXTUYSAUQEJ-UHFFFAOYSA-N
XLogP3.53
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide (CID 70810910) is N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide is COc1ccc(Cn2nc(C)c3cc(-c4cncc(NC(=O)C5CCN(C)CC5)n4)cnc32)cc1.
What is the InChIKey of N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is JQSYXTUYSAUQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-22-12-20(13-28-25(22)33(31-17)16-18-4-6-21(35-3)7-5-18)23-14-27-15-24(29-23)30-26(34)19-8-10-32(2)11-9-19/h4-7,12-15,19H,8-11,16H2,1-3H3,(H,29,30,34).
What are the key properties of N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 70810910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).