N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide

C24H20ClFN6O — CID 139487661

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C24H20ClFN6O/c25-19-6-8-31-14-28-20(23(31)22(19)26)9-27-24(33)17-5-7-30(10-17)12-18-13-32-11-16(15-1-2-15)3-4-21(32)29-18/h3-8,10-11,13-15H,1-2,9,12H2,(H,27,33)
InChIKeyAMUWISREKFTEKP-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.43
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide (PubChem CID 139487661) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide
PubChem CID139487661
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C24H20ClFN6O/c25-19-6-8-31-14-28-20(23(31)22(19)26)9-27-24(33)17-5-7-30(10-17)12-18-13-32-11-16(15-1-2-15)3-4-21(32)29-18/h3-8,10-11,13-15H,1-2,9,12H2,(H,27,33)
InChIKeyAMUWISREKFTEKP-UHFFFAOYSA-N
XLogP4.43
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide (CID 139487661) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is AMUWISREKFTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c25-19-6-8-31-14-28-20(23(31)22(19)26)9-27-24(33)17-5-7-30(10-17)12-18-13-32-11-16(15-1-2-15)3-4-21(32)29-18/h3-8,10-11,13-15H,1-2,9,12H2,(H,27,33).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 462.92 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 139487661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).