N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

C26H22ClN9O2 — CID 139487356

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1
InChIInChI=1S/C26H22ClN9O2/c27-20-3-4-34-14-29-22(23(34)7-20)9-28-26(37)19-8-31-36(11-19)13-21-12-35-10-18(16-1-2-16)5-17(25(35)32-21)6-24-33-30-15-38-24/h3-5,7-8,10-12,14-16H,1-2,6,9,13H2,(H,28,37)
InChIKeyDOPVMALAZOIAFN-UHFFFAOYSA-N
MW527.98 g/mol
LogP3.66
Rot. Bonds8

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139487356) has the molecular formula C26H22ClN9O2 and a molecular weight of 527.98 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID139487356
Molecular FormulaC26H22ClN9O2
Molecular Weight527.98 g/mol
Exact Mass527.16
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1
InChIInChI=1S/C26H22ClN9O2/c27-20-3-4-34-14-29-22(23(34)7-20)9-28-26(37)19-8-31-36(11-19)13-21-12-35-10-18(16-1-2-16)5-17(25(35)32-21)6-24-33-30-15-38-24/h3-5,7-8,10-12,14-16H,1-2,6,9,13H2,(H,28,37)
InChIKeyDOPVMALAZOIAFN-UHFFFAOYSA-N
XLogP3.66
TPSA120.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.98
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139487356) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is DOPVMALAZOIAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN9O2/c27-20-3-4-34-14-29-22(23(34)7-20)9-28-26(37)19-8-31-36(11-19)13-21-12-35-10-18(16-1-2-16)5-17(25(35)32-21)6-24-33-30-15-38-24/h3-5,7-8,10-12,14-16H,1-2,6,9,13H2,(H,28,37).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 527.98 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).