2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C28H25ClN6O2 — CID 170774574

IUPAC2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(NCc2cn3cc(C4CC4)cc(CO)c3n2)ccn1
InChIInChI=1S/C28H25ClN6O2/c29-20-4-3-17(11-30)23(8-20)24-10-25(24)28(37)34-26-9-21(5-6-31-26)32-12-22-14-35-13-18(16-1-2-16)7-19(15-36)27(35)33-22/h3-9,13-14,16,24-25,36H,1-2,10,12,15H2,(H2,31,32,34,37)
InChIKeyNVPYYHMJQUQWAZ-UHFFFAOYSA-N
MW513.00 g/mol
LogP4.98
Rot. Bonds8

About 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 170774574) has the molecular formula C28H25ClN6O2 and a molecular weight of 513.00 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID170774574
Molecular FormulaC28H25ClN6O2
Molecular Weight513.00 g/mol
Exact Mass512.17
IUPAC Name2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(NCc2cn3cc(C4CC4)cc(CO)c3n2)ccn1
InChIInChI=1S/C28H25ClN6O2/c29-20-4-3-17(11-30)23(8-20)24-10-25(24)28(37)34-26-9-21(5-6-31-26)32-12-22-14-35-13-18(16-1-2-16)7-19(15-36)27(35)33-22/h3-9,13-14,16,24-25,36H,1-2,10,12,15H2,(H2,31,32,34,37)
InChIKeyNVPYYHMJQUQWAZ-UHFFFAOYSA-N
XLogP4.98
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.00
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 170774574) is 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is N#Cc1ccc(Cl)cc1C1CC1C(=O)Nc1cc(NCc2cn3cc(C4CC4)cc(CO)c3n2)ccn1.
What is the InChIKey of 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is NVPYYHMJQUQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6O2/c29-20-4-3-17(11-30)23(8-20)24-10-25(24)28(37)34-26-9-21(5-6-31-26)32-12-22-14-35-13-18(16-1-2-16)7-19(15-36)27(35)33-22/h3-9,13-14,16,24-25,36H,1-2,10,12,15H2,(H2,31,32,34,37).
What are the key properties of 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?
2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 513.00 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanophenyl)-N-[4-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).