1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one

C22H18FN5O2 — CID 162649318

IUPAC1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2=O)n1
InChIInChI=1S/C22H18FN5O2/c1-30-18-6-2-5-15(23)22(18)16-11-17-14(12-24-16)13-25-28(17)20-8-3-7-19(26-20)27-10-4-9-21(27)29/h2-3,5-8,11-13H,4,9-10H2,1H3
InChIKeyKXCKIJBDLAFGHB-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.76
Rot. Bonds4

About 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one

1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 162649318) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one
PubChem CID162649318
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2=O)n1
InChIInChI=1S/C22H18FN5O2/c1-30-18-6-2-5-15(23)22(18)16-11-17-14(12-24-16)13-25-28(17)20-8-3-7-19(26-20)27-10-4-9-21(27)29/h2-3,5-8,11-13H,4,9-10H2,1H3
InChIKeyKXCKIJBDLAFGHB-UHFFFAOYSA-N
XLogP3.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one (CID 162649318) is 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CCCC2=O)n1.
What is the InChIKey of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is KXCKIJBDLAFGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-30-18-6-2-5-15(23)22(18)16-11-17-14(12-24-16)13-25-28(17)20-8-3-7-19(26-20)27-10-4-9-21(27)29/h2-3,5-8,11-13H,4,9-10H2,1H3.
What are the key properties of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one?
1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 403.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 162649318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).