(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide

C19H25FN4O — CID 96999191

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
SMILESC[C@@H](NC[C@@H]1CCCn2ccnc21)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H25FN4O/c1-14(19(25)23(2)13-15-5-3-7-17(20)11-15)22-12-16-6-4-9-24-10-8-21-18(16)24/h3,5,7-8,10-11,14,16,22H,4,6,9,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyPOWBLRYRMRRNMY-ZBFHGGJFSA-N
MW344.43 g/mol
LogP2.54
Rot. Bonds6

About (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide

(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide (PubChem CID 96999191) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
PubChem CID96999191
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide
SMILESC[C@@H](NC[C@@H]1CCCn2ccnc21)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H25FN4O/c1-14(19(25)23(2)13-15-5-3-7-17(20)11-15)22-12-16-6-4-9-24-10-8-21-18(16)24/h3,5,7-8,10-11,14,16,22H,4,6,9,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyPOWBLRYRMRRNMY-ZBFHGGJFSA-N
XLogP2.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95346005
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)-N-(2-thiophen-2-ylethyl)propanamide
CID 71928598
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CID 97087066
N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
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CID 134030730
1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
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CID 103600519
N-[1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55850902
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CID 52505623

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide (CID 96999191) is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide is C[C@@H](NC[C@@H]1CCCn2ccnc21)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
The InChIKey is POWBLRYRMRRNMY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14(19(25)23(2)13-15-5-3-7-17(20)11-15)22-12-16-6-4-9-24-10-8-21-18(16)24/h3,5,7-8,10-11,14,16,22H,4,6,9,12-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide?
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide has a molecular weight of 344.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]propanamide is sourced from PubChem (CID 96999191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).