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

C16H13ClN4O2 — CID 156907009

IUPAC6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1n[nH]c2ccncc12)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN4O2/c17-9-1-2-14-11(7-9)10(4-6-23-14)16(22)19-15-12-8-18-5-3-13(12)20-21-15/h1-3,5,7-8,10H,4,6H2,(H2,19,20,21,22)
InChIKeyAYODLXBPDLEXFB-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.12
Rot. Bonds2

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

6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156907009) 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-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156907009
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1n[nH]c2ccncc12)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C16H13ClN4O2/c17-9-1-2-14-11(7-9)10(4-6-23-14)16(22)19-15-12-8-18-5-3-13(12)20-21-15/h1-3,5,7-8,10H,4,6H2,(H2,19,20,21,22)
InChIKeyAYODLXBPDLEXFB-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 156907009) is 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1n[nH]c2ccncc12)C1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is AYODLXBPDLEXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-9-1-2-14-11(7-9)10(4-6-23-14)16(22)19-15-12-8-18-5-3-13(12)20-21-15/h1-3,5,7-8,10H,4,6H2,(H2,19,20,21,22).
What are the key properties of 6-chloro-N-(1H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-N-(1H-pyrazolo[4,3-c]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-c]pyridin-3-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156907009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).