N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

C20H21F2N5O — CID 83272951

IUPACN-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)n1c(C2CCN(C(=O)Nc3cc(F)ccc3F)C2)nc2ccncc21
InChIInChI=1S/C20H21F2N5O/c1-12(2)27-18-10-23-7-5-16(18)24-19(27)13-6-8-26(11-13)20(28)25-17-9-14(21)3-4-15(17)22/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,25,28)
InChIKeyZBSMARHZNZRGGT-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.31
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide

N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 83272951) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID83272951
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC NameN-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)n1c(C2CCN(C(=O)Nc3cc(F)ccc3F)C2)nc2ccncc21
InChIInChI=1S/C20H21F2N5O/c1-12(2)27-18-10-23-7-5-16(18)24-19(27)13-6-8-26(11-13)20(28)25-17-9-14(21)3-4-15(17)22/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,25,28)
InChIKeyZBSMARHZNZRGGT-UHFFFAOYSA-N
XLogP4.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 83272951) is N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is CC(C)n1c(C2CCN(C(=O)Nc3cc(F)ccc3F)C2)nc2ccncc21.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZBSMARHZNZRGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-12(2)27-18-10-23-7-5-16(18)24-19(27)13-6-8-26(11-13)20(28)25-17-9-14(21)3-4-15(17)22/h3-5,7,9-10,12-13H,6,8,11H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide?
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 83272951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).