N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide

C19H21N5O2 — CID 135435014

IUPACN-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)ccc23)CC1
InChIInChI=1S/C19H21N5O2/c1-24-10-8-13(9-11-24)19(26)21-18-15-6-7-16(20-17(15)22-23-18)12-2-4-14(25)5-3-12/h2-7,13,25H,8-11H2,1H3,(H2,20,21,22,23,26)
InChIKeyZCMFNKZSIWNHEU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.61
Rot. Bonds3

About N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide

N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 135435014) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID135435014
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)ccc23)CC1
InChIInChI=1S/C19H21N5O2/c1-24-10-8-13(9-11-24)19(26)21-18-15-6-7-16(20-17(15)22-23-18)12-2-4-14(25)5-3-12/h2-7,13,25H,8-11H2,1H3,(H2,20,21,22,23,26)
InChIKeyZCMFNKZSIWNHEU-UHFFFAOYSA-N
XLogP2.61
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (CID 135435014) is N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)ccc23)CC1.
What is the InChIKey of N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is ZCMFNKZSIWNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-10-8-13(9-11-24)19(26)21-18-15-6-7-16(20-17(15)22-23-18)12-2-4-14(25)5-3-12/h2-7,13,25H,8-11H2,1H3,(H2,20,21,22,23,26).
What are the key properties of N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 135435014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).