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

C28H27ClFN11O — CID 139487855

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)cn3)nc12)c1nn[nH]n1
InChIInChI=1S/C28H27ClFN11O/c1-28(2,27-35-37-38-36-27)8-17-7-18(16-3-4-16)11-40-13-20(34-25(17)40)14-41-12-19(9-33-41)26(42)31-10-22-24-23(30)21(29)5-6-39(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,42)(H,35,36,37,38)
InChIKeySCCRXLRICSMLTR-UHFFFAOYSA-N
MW588.05 g/mol
LogP3.86
Rot. Bonds9

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139487855) has the molecular formula C28H27ClFN11O and a molecular weight of 588.05 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID139487855
Molecular FormulaC28H27ClFN11O
Molecular Weight588.05 g/mol
Exact Mass587.21
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)cn3)nc12)c1nn[nH]n1
InChIInChI=1S/C28H27ClFN11O/c1-28(2,27-35-37-38-36-27)8-17-7-18(16-3-4-16)11-40-13-20(34-25(17)40)14-41-12-19(9-33-41)26(42)31-10-22-24-23(30)21(29)5-6-39(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,42)(H,35,36,37,38)
InChIKeySCCRXLRICSMLTR-UHFFFAOYSA-N
XLogP3.86
TPSA135.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.05
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-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]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139487855) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is CC(C)(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)cn3)nc12)c1nn[nH]n1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is SCCRXLRICSMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN11O/c1-28(2,27-35-37-38-36-27)8-17-7-18(16-3-4-16)11-40-13-20(34-25(17)40)14-41-12-19(9-33-41)26(42)31-10-22-24-23(30)21(29)5-6-39(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,42)(H,35,36,37,38).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 588.05 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 10 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-cyclopropyl-8-[2-methyl-2-(2H-tetrazol-5-yl)propyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).