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

C20H24FN5O — CID 166961584

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C20H24FN5O/c1-13(2)27-14-7-9-26-18(12-23-20(26)10-14)16-4-3-5-19(24-16)25-17-11-22-8-6-15(17)21/h3-5,7,9-10,12-13,15,17,22H,6,8,11H2,1-2H3,(H,24,25)/t15-,17-/m0/s1
InChIKeyRDBXDKAXTSZQAP-RDJZCZTQSA-N
MW369.44 g/mol
LogP3.30
Rot. Bonds5

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

N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 166961584) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID166961584
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C20H24FN5O/c1-13(2)27-14-7-9-26-18(12-23-20(26)10-14)16-4-3-5-19(24-16)25-17-11-22-8-6-15(17)21/h3-5,7,9-10,12-13,15,17,22H,6,8,11H2,1-2H3,(H,24,25)/t15-,17-/m0/s1
InChIKeyRDBXDKAXTSZQAP-RDJZCZTQSA-N
XLogP3.30
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 166961584) is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is CC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is RDBXDKAXTSZQAP-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-13(2)27-14-7-9-26-18(12-23-20(26)10-14)16-4-3-5-19(24-16)25-17-11-22-8-6-15(17)21/h3-5,7,9-10,12-13,15,17,22H,6,8,11H2,1-2H3,(H,24,25)/t15-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 369.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).