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

C16H13ClN4O2 — CID 135435017

IUPACN-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1
InChIInChI=1S/C16H13ClN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
InChIKeyDTTIISYOYISNJH-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.33
Rot. Bonds3

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

N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 135435017) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID135435017
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1
InChIInChI=1S/C16H13ClN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
InChIKeyDTTIISYOYISNJH-UHFFFAOYSA-N
XLogP3.33
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (CID 135435017) is N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1.
What is the InChIKey of N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is DTTIISYOYISNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23).
What are the key properties of N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135435017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).