N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide

C21H18ClN9O — CID 139487412

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1nnn(Cc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C21H18ClN9O/c22-15-5-6-29-12-24-17(18(29)7-15)8-23-21(32)20-26-28-31(27-20)11-16-10-30-9-14(13-1-2-13)3-4-19(30)25-16/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,32)
InChIKeyIHKRPOXHRVZUMN-UHFFFAOYSA-N
MW447.89 g/mol
LogP2.48
Rot. Bonds6

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide (PubChem CID 139487412) has the molecular formula C21H18ClN9O and a molecular weight of 447.89 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
PubChem CID139487412
Molecular FormulaC21H18ClN9O
Molecular Weight447.89 g/mol
Exact Mass447.13
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1nnn(Cc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C21H18ClN9O/c22-15-5-6-29-12-24-17(18(29)7-15)8-23-21(32)20-26-28-31(27-20)11-16-10-30-9-14(13-1-2-13)3-4-19(30)25-16/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,32)
InChIKeyIHKRPOXHRVZUMN-UHFFFAOYSA-N
XLogP2.48
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.89
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide (CID 139487412) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1nnn(Cc2cn3cc(C4CC4)ccc3n2)n1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide?
The InChIKey is IHKRPOXHRVZUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN9O/c22-15-5-6-29-12-24-17(18(29)7-15)8-23-21(32)20-26-28-31(27-20)11-16-10-30-9-14(13-1-2-13)3-4-19(30)25-16/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,32).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide has a molecular weight of 447.89 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 139487412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).