N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

C17H19FN6O — CID 167450042

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1ccn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H19FN6O/c1-25-11-4-7-24-15(10-21-16(24)8-11)13-3-6-20-17(22-13)23-14-9-19-5-2-12(14)18/h3-4,6-8,10,12,14,19H,2,5,9H2,1H3,(H,20,22,23)/t12-,14-/m0/s1
InChIKeyUYAVSNOGYWABKL-JSGCOSHPSA-N
MW342.38 g/mol
LogP1.91
Rot. Bonds4

About N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 167450042) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID167450042
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1ccn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H19FN6O/c1-25-11-4-7-24-15(10-21-16(24)8-11)13-3-6-20-17(22-13)23-14-9-19-5-2-12(14)18/h3-4,6-8,10,12,14,19H,2,5,9H2,1H3,(H,20,22,23)/t12-,14-/m0/s1
InChIKeyUYAVSNOGYWABKL-JSGCOSHPSA-N
XLogP1.91
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 167450042) is N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is COc1ccn2c(-c3ccnc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is UYAVSNOGYWABKL-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-25-11-4-7-24-15(10-21-16(24)8-11)13-3-6-20-17(22-13)23-14-9-19-5-2-12(14)18/h3-4,6-8,10,12,14,19H,2,5,9H2,1H3,(H,20,22,23)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 342.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropiperidin-3-yl]-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 167450042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).