N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide

C26H23ClFN9O2 — CID 139490439

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1cn2cc(C3CC3)cc(N3CCCC3=O)c2n1)Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C26H23ClFN9O2/c27-18-5-7-34-14-29-20(24(34)23(18)28)13-36(26(39)19-9-30-33-32-19)12-17-11-35-10-16(15-3-4-15)8-21(25(35)31-17)37-6-1-2-22(37)38/h5,7-11,14-15H,1-4,6,12-13H2,(H,30,32,33)
InChIKeyXEGGACONOJVKHX-UHFFFAOYSA-N
MW547.98 g/mol
LogP3.74
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide (PubChem CID 139490439) has the molecular formula C26H23ClFN9O2 and a molecular weight of 547.98 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide
PubChem CID139490439
Molecular FormulaC26H23ClFN9O2
Molecular Weight547.98 g/mol
Exact Mass547.16
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1cn2cc(C3CC3)cc(N3CCCC3=O)c2n1)Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C26H23ClFN9O2/c27-18-5-7-34-14-29-20(24(34)23(18)28)13-36(26(39)19-9-30-33-32-19)12-17-11-35-10-16(15-3-4-15)8-21(25(35)31-17)37-6-1-2-22(37)38/h5,7-11,14-15H,1-4,6,12-13H2,(H,30,32,33)
InChIKeyXEGGACONOJVKHX-UHFFFAOYSA-N
XLogP3.74
TPSA116.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.98
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide with MolForge

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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]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide (CID 139490439) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(Cc1cn2cc(C3CC3)cc(N3CCCC3=O)c2n1)Cc1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is XEGGACONOJVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN9O2/c27-18-5-7-34-14-29-20(24(34)23(18)28)13-36(26(39)19-9-30-33-32-19)12-17-11-35-10-16(15-3-4-15)8-21(25(35)31-17)37-6-1-2-22(37)38/h5,7-11,14-15H,1-4,6,12-13H2,(H,30,32,33).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 547.98 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 139490439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).