[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone

C19H18ClN3O3 — CID 58404699

IUPAC[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C19H18ClN3O3/c1-25-17-10-15(12-23-18(17)16(20)11-21-23)13-2-4-14(5-3-13)19(24)22-6-8-26-9-7-22/h2-5,10-12H,6-9H2,1H3
InChIKeyQSEKXTLFQMVYSD-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.14
Rot. Bonds3

About [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone

[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 58404699) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID58404699
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C19H18ClN3O3/c1-25-17-10-15(12-23-18(17)16(20)11-21-23)13-2-4-14(5-3-13)19(24)22-6-8-26-9-7-22/h2-5,10-12H,6-9H2,1H3
InChIKeyQSEKXTLFQMVYSD-UHFFFAOYSA-N
XLogP3.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone (CID 58404699) is [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone is COc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2ncc(Cl)c12.
What is the InChIKey of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is QSEKXTLFQMVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-25-17-10-15(12-23-18(17)16(20)11-21-23)13-2-4-14(5-3-13)19(24)22-6-8-26-9-7-22/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone?
[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 371.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58404699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).