6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine

C20H23ClFN5O — CID 166961598

IUPAC6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl
InChIInChI=1S/C20H23ClFN5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-13(18)21)15-4-3-5-19(25-15)26-16-9-23-7-6-14(16)22/h3-5,8,10-12,14,16,23H,6-7,9H2,1-2H3,(H,25,26)/t14-,16-/m0/s1
InChIKeyGPQARSZTOBDAFR-HOCLYGCPSA-N
MW403.89 g/mol
LogP3.95
Rot. Bonds5

About 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine

6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine (PubChem CID 166961598) has the molecular formula C20H23ClFN5O and a molecular weight of 403.89 g/mol. Its IUPAC name is 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
PubChem CID166961598
Molecular FormulaC20H23ClFN5O
Molecular Weight403.89 g/mol
Exact Mass403.16
IUPAC Name6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl
InChIInChI=1S/C20H23ClFN5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-13(18)21)15-4-3-5-19(25-15)26-16-9-23-7-6-14(16)22/h3-5,8,10-12,14,16,23H,6-7,9H2,1-2H3,(H,25,26)/t14-,16-/m0/s1
InChIKeyGPQARSZTOBDAFR-HOCLYGCPSA-N
XLogP3.95
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine (CID 166961598) is 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine is CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1Cl.
What is the InChIKey of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The InChIKey is GPQARSZTOBDAFR-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H23ClFN5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-13(18)21)15-4-3-5-19(25-15)26-16-9-23-7-6-14(16)22/h3-5,8,10-12,14,16,23H,6-7,9H2,1-2H3,(H,25,26)/t14-,16-/m0/s1.
What are the key properties of 6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
6-(6-chloro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine has a molecular weight of 403.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).