N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23ClF2N4O2 — CID 90113986

IUPACN-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1(N)CCCC1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-19(21(30)27-12-22(26)7-2-3-8-22)29-10-14(23)9-18(20(29)28-13)31-11-15-16(24)5-4-6-17(15)25/h4-6,9-10H,2-3,7-8,11-12,26H2,1H3,(H,27,30)
InChIKeySCXBEJZVXHLLPW-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.15
Rot. Bonds6

About N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90113986) has the molecular formula C22H23ClF2N4O2 and a molecular weight of 448.90 g/mol. Its IUPAC name is N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90113986
Molecular FormulaC22H23ClF2N4O2
Molecular Weight448.90 g/mol
Exact Mass448.15
IUPAC NameN-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1(N)CCCC1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-19(21(30)27-12-22(26)7-2-3-8-22)29-10-14(23)9-18(20(29)28-13)31-11-15-16(24)5-4-6-17(15)25/h4-6,9-10H,2-3,7-8,11-12,26H2,1H3,(H,27,30)
InChIKeySCXBEJZVXHLLPW-UHFFFAOYSA-N
XLogP4.15
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90113986) is N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCC1(N)CCCC1.
What is the InChIKey of N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SCXBEJZVXHLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O2/c1-13-19(21(30)27-12-22(26)7-2-3-8-22)29-10-14(23)9-18(20(29)28-13)31-11-15-16(24)5-4-6-17(15)25/h4-6,9-10H,2-3,7-8,11-12,26H2,1H3,(H,27,30).
What are the key properties of N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.90 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopentyl)methyl]-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90113986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).