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

C27H29ClFN9O2 — CID 139487528

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C)CCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C27H29ClFN9O2/c1-35(2)7-8-40-15-19-9-18(17-3-4-17)11-37-12-20(32-26(19)37)13-38-14-23(33-34-38)27(39)30-10-22-25-24(29)21(28)5-6-36(25)16-31-22/h5-6,9,11-12,14,16-17H,3-4,7-8,10,13,15H2,1-2H3,(H,30,39)
InChIKeyOGFDUILZJFFLLO-UHFFFAOYSA-N
MW566.04 g/mol
LogP3.30
Rot. Bonds11

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487528) has the molecular formula C27H29ClFN9O2 and a molecular weight of 566.04 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487528
Molecular FormulaC27H29ClFN9O2
Molecular Weight566.04 g/mol
Exact Mass565.21
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCN(C)CCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C27H29ClFN9O2/c1-35(2)7-8-40-15-19-9-18(17-3-4-17)11-37-12-20(32-26(19)37)13-38-14-23(33-34-38)27(39)30-10-22-25-24(29)21(28)5-6-36(25)16-31-22/h5-6,9,11-12,14,16-17H,3-4,7-8,10,13,15H2,1-2H3,(H,30,39)
InChIKeyOGFDUILZJFFLLO-UHFFFAOYSA-N
XLogP3.30
TPSA106.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.04
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487528) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-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-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is CN(C)CCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is OGFDUILZJFFLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN9O2/c1-35(2)7-8-40-15-19-9-18(17-3-4-17)11-37-12-20(32-26(19)37)13-38-14-23(33-34-38)27(39)30-10-22-25-24(29)21(28)5-6-36(25)16-31-22/h5-6,9,11-12,14,16-17H,3-4,7-8,10,13,15H2,1-2H3,(H,30,39).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-[2-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 566.04 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 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-(dimethylamino)ethoxymethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).