6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine

C20H22ClFN4O — CID 170240924

IUPAC6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)n2cc1Cl
InChIInChI=1S/C20H22ClFN4O/c1-12(2)27-18-9-20-23-10-17(26(20)11-13(18)21)16-7-4-8-19(25-16)24-15-6-3-5-14(15)22/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,25)/t14-,15-/m0/s1
InChIKeyKXYIEOKOCCQUOC-GJZGRUSLSA-N
MW388.87 g/mol
LogP5.14
Rot. Bonds5

About 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine

6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine (PubChem CID 170240924) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
PubChem CID170240924
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC Name6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)n2cc1Cl
InChIInChI=1S/C20H22ClFN4O/c1-12(2)27-18-9-20-23-10-17(26(20)11-13(18)21)16-7-4-8-19(25-16)24-15-6-3-5-14(15)22/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,25)/t14-,15-/m0/s1
InChIKeyKXYIEOKOCCQUOC-GJZGRUSLSA-N
XLogP5.14
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.87
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine?
The IUPAC name of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine (CID 170240924) is 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine?
The canonical SMILES for 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine is CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CCC[C@@H]4F)n3)n2cc1Cl.
What is the InChIKey of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine?
The InChIKey is KXYIEOKOCCQUOC-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H22ClFN4O/c1-12(2)27-18-9-20-23-10-17(26(20)11-13(18)21)16-7-4-8-19(25-16)24-15-6-3-5-14(15)22/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,24,25)/t14-,15-/m0/s1.
What are the key properties of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine?
6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine has a molecular weight of 388.87 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(1S,2S)-2-fluorocyclopentyl]pyridin-2-amine is sourced from PubChem (CID 170240924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).