3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

C28H24F2N6 — CID 58180036

IUPAC3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nc2cnccc2n1-c1cccc(F)c1F
InChIInChI=1S/C28H24F2N6/c29-22-4-3-5-25(26(22)30)36-24-10-11-32-16-23(24)34-28(36)21-14-20(15-33-27(21)31)19-8-6-18(7-9-19)17-35-12-1-2-13-35/h3-11,14-16H,1-2,12-13,17H2,(H2,31,33)
InChIKeyYQASYKVGPAQSMT-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.61
Rot. Bonds5

About 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 58180036) has the molecular formula C28H24F2N6 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
PubChem CID58180036
Molecular FormulaC28H24F2N6
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nc2cnccc2n1-c1cccc(F)c1F
InChIInChI=1S/C28H24F2N6/c29-22-4-3-5-25(26(22)30)36-24-10-11-32-16-23(24)34-28(36)21-14-20(15-33-27(21)31)19-8-6-18(7-9-19)17-35-12-1-2-13-35/h3-11,14-16H,1-2,12-13,17H2,(H2,31,33)
InChIKeyYQASYKVGPAQSMT-UHFFFAOYSA-N
XLogP5.61
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 58180036) is 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nc2cnccc2n1-c1cccc(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is YQASYKVGPAQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6/c29-22-4-3-5-25(26(22)30)36-24-10-11-32-16-23(24)34-28(36)21-14-20(15-33-27(21)31)19-8-6-18(7-9-19)17-35-12-1-2-13-35/h3-11,14-16H,1-2,12-13,17H2,(H2,31,33).
What are the key properties of 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 482.54 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 58180036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).