1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one

C21H17ClN2O3 — CID 58404873

IUPAC1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one
SMILESCOc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C21H17ClN2O3/c1-26-20-11-16(13-24-21(20)18(22)12-23-24)14-4-6-15(7-5-14)19(25)9-8-17-3-2-10-27-17/h2-7,10-13H,8-9H2,1H3
InChIKeyHNWDWEZYCYUIOS-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.07
Rot. Bonds6

About 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one

1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one (PubChem CID 58404873) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one
PubChem CID58404873
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one
SMILESCOc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C21H17ClN2O3/c1-26-20-11-16(13-24-21(20)18(22)12-23-24)14-4-6-15(7-5-14)19(25)9-8-17-3-2-10-27-17/h2-7,10-13H,8-9H2,1H3
InChIKeyHNWDWEZYCYUIOS-UHFFFAOYSA-N
XLogP5.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one (CID 58404873) is 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one is COc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)cn2ncc(Cl)c12.
What is the InChIKey of 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one?
The InChIKey is HNWDWEZYCYUIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-26-20-11-16(13-24-21(20)18(22)12-23-24)14-4-6-15(7-5-14)19(25)9-8-17-3-2-10-27-17/h2-7,10-13H,8-9H2,1H3.
What are the key properties of 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one?
1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one has a molecular weight of 380.83 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 58404873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).