1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide

C22H25N5O2 — CID 134023672

IUPAC1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)(c2ccccc2)CC1
InChIInChI=1S/C22H25N5O2/c1-15-19-13-18(14-23-20(19)26(3)25-15)24-21(29)22(17-7-5-4-6-8-17)9-11-27(12-10-22)16(2)28/h4-8,13-14H,9-12H2,1-3H3,(H,24,29)
InChIKeyNKIPFRHKTIDBPZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.80
Rot. Bonds3

About 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide

1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide (PubChem CID 134023672) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide
PubChem CID134023672
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)(c2ccccc2)CC1
InChIInChI=1S/C22H25N5O2/c1-15-19-13-18(14-23-20(19)26(3)25-15)24-21(29)22(17-7-5-4-6-8-17)9-11-27(12-10-22)16(2)28/h4-8,13-14H,9-12H2,1-3H3,(H,24,29)
InChIKeyNKIPFRHKTIDBPZ-UHFFFAOYSA-N
XLogP2.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide (CID 134023672) is 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is NKIPFRHKTIDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-19-13-18(14-23-20(19)26(3)25-15)24-21(29)22(17-7-5-4-6-8-17)9-11-27(12-10-22)16(2)28/h4-8,13-14H,9-12H2,1-3H3,(H,24,29).
What are the key properties of 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 134023672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).