6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C16H13ClN4O2 — CID 156907001

IUPAC6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1n[nH]c2cccnc12)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN4O2/c17-9-3-4-13-11(8-9)10(5-7-23-13)16(22)19-15-14-12(20-21-15)2-1-6-18-14/h1-4,6,8,10H,5,7H2,(H2,19,20,21,22)
InChIKeyFVJLLVQFMZOYJH-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.12
Rot. Bonds2

About 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide

6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156907001) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156907001
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1n[nH]c2cccnc12)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN4O2/c17-9-3-4-13-11(8-9)10(5-7-23-13)16(22)19-15-14-12(20-21-15)2-1-6-18-14/h1-4,6,8,10H,5,7H2,(H2,19,20,21,22)
InChIKeyFVJLLVQFMZOYJH-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906166
(4R)-6-chloro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906883
6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906877
6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 166212443
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 156907081
N-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenyl]acetamide
CID 123833221
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide
CID 167874851
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 156907001) is 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1n[nH]c2cccnc12)C1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is FVJLLVQFMZOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-9-3-4-13-11(8-9)10(5-7-23-13)16(22)19-15-14-12(20-21-15)2-1-6-18-14/h1-4,6,8,10H,5,7H2,(H2,19,20,21,22).
What are the key properties of 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156907001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).