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

C19H20BrN5O2 — CID 135435015

IUPACN-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1
InChIInChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
InChIKeyBSHCILRNXWKQAL-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.37
Rot. Bonds3

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

N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 135435015) has the molecular formula C19H20BrN5O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID135435015
Molecular FormulaC19H20BrN5O2
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC NameN-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1
InChIInChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27)
InChIKeyBSHCILRNXWKQAL-UHFFFAOYSA-N
XLogP3.37
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide (CID 135435015) is N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1.
What is the InChIKey of N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is BSHCILRNXWKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O2/c1-25-8-6-12(7-9-25)19(27)22-18-14-10-15(20)16(21-17(14)23-24-18)11-2-4-13(26)5-3-11/h2-5,10,12,26H,6-9H2,1H3,(H2,21,22,23,24,27).
What are the key properties of N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 430.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 135435015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).