N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

C17H18FN5O — CID 163766315

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCOc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H18FN5O/c1-24-11-5-6-23-15(10-20-17(23)7-11)13-3-2-4-16(21-13)22-14-9-19-8-12(14)18/h2-7,10,12,14,19H,8-9H2,1H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyMCOWNEICYXDEPL-JSGCOSHPSA-N
MW327.36 g/mol
LogP2.13
Rot. Bonds4

About N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 163766315) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID163766315
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCOc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C17H18FN5O/c1-24-11-5-6-23-15(10-20-17(23)7-11)13-3-2-4-16(21-13)22-14-9-19-8-12(14)18/h2-7,10,12,14,19H,8-9H2,1H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyMCOWNEICYXDEPL-JSGCOSHPSA-N
XLogP2.13
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.13
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-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 163766315) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is MCOWNEICYXDEPL-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-24-11-5-6-23-15(10-20-17(23)7-11)13-3-2-4-16(21-13)22-14-9-19-8-12(14)18/h2-7,10,12,14,19H,8-9H2,1H3,(H,21,22)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 327.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 163766315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).