1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid

C26H20ClFN10O3 — CID 139487562

IUPAC1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)cn1
InChIInChI=1S/C26H20ClFN10O3/c27-17-3-4-35-12-30-18(23(35)22(17)28)6-29-25(39)19-11-38(34-33-19)9-16-8-36-7-15(14-1-2-14)5-21(24(36)32-16)37-10-20(26(40)41)31-13-37/h3-5,7-8,10-14H,1-2,6,9H2,(H,29,39)(H,40,41)
InChIKeyUTYNLOXXNUTIPN-UHFFFAOYSA-N
MW574.96 g/mol
LogP3.11
Rot. Bonds8

About 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid

1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid (PubChem CID 139487562) has the molecular formula C26H20ClFN10O3 and a molecular weight of 574.96 g/mol. Its IUPAC name is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
PubChem CID139487562
Molecular FormulaC26H20ClFN10O3
Molecular Weight574.96 g/mol
Exact Mass574.14
IUPAC Name1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)cn1
InChIInChI=1S/C26H20ClFN10O3/c27-17-3-4-35-12-30-18(23(35)22(17)28)6-29-25(39)19-11-38(34-33-19)9-16-8-36-7-15(14-1-2-14)5-21(24(36)32-16)37-10-20(26(40)41)31-13-37/h3-5,7-8,10-14H,1-2,6,9H2,(H,29,39)(H,40,41)
InChIKeyUTYNLOXXNUTIPN-UHFFFAOYSA-N
XLogP3.11
TPSA149.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.96
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid (CID 139487562) is 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)cn1.
What is the InChIKey of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
The InChIKey is UTYNLOXXNUTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O3/c27-17-3-4-35-12-30-18(23(35)22(17)28)6-29-25(39)19-11-38(34-33-19)9-16-8-36-7-15(14-1-2-14)5-21(24(36)32-16)37-10-20(26(40)41)31-13-37/h3-5,7-8,10-14H,1-2,6,9H2,(H,29,39)(H,40,41).
What are the key properties of 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid?
1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid has a molecular weight of 574.96 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 139487562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).