N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide

C23H27N7O2 — CID 169114898

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide
SMILESNc1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(N3CCCC3)c2)c2[nH]ncc12
InChIInChI=1S/C23H27N7O2/c24-21-17-13-26-28-20(17)18(14-25-21)27-22(31)23(32)30-11-2-1-8-19(30)15-6-5-7-16(12-15)29-9-3-4-10-29/h5-7,12-14,19H,1-4,8-11H2,(H2,24,25)(H,26,28)(H,27,31)/t19-/m0/s1
InChIKeyJJSUHUUTHQORQD-IBGZPJMESA-N
MW433.52 g/mol
LogP2.83
Rot. Bonds3

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide (PubChem CID 169114898) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide
PubChem CID169114898
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide
SMILESNc1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(N3CCCC3)c2)c2[nH]ncc12
InChIInChI=1S/C23H27N7O2/c24-21-17-13-26-28-20(17)18(14-25-21)27-22(31)23(32)30-11-2-1-8-19(30)15-6-5-7-16(12-15)29-9-3-4-10-29/h5-7,12-14,19H,1-4,8-11H2,(H2,24,25)(H,26,28)(H,27,31)/t19-/m0/s1
InChIKeyJJSUHUUTHQORQD-IBGZPJMESA-N
XLogP2.83
TPSA120.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide (CID 169114898) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide is Nc1ncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(N3CCCC3)c2)c2[nH]ncc12.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide?
The InChIKey is JJSUHUUTHQORQD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N7O2/c24-21-17-13-26-28-20(17)18(14-25-21)27-22(31)23(32)30-11-2-1-8-19(30)15-6-5-7-16(12-15)29-9-3-4-10-29/h5-7,12-14,19H,1-4,8-11H2,(H2,24,25)(H,26,28)(H,27,31)/t19-/m0/s1.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-oxo-2-[(2S)-2-(3-pyrrolidin-1-ylphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 169114898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).