(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide

C29H37N5O3 — CID 24965411

IUPAC(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1
InChIInChI=1S/C29H37N5O3/c1-19-16-23(21-8-5-4-6-9-21)27-31-24(18-33(27)17-19)25-10-7-13-34(25)29(36)26(22-11-14-37-15-12-22)32-28(35)20(2)30-3/h4-6,8-9,16-18,20,22,25-26,30H,7,10-15H2,1-3H3,(H,32,35)/t20-,25-,26-/m0/s1
InChIKeyPGDHPVSYGXPTMU-XZZVZQAVSA-N
MW503.65 g/mol
LogP3.49
Rot. Bonds7

About (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide

(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide (PubChem CID 24965411) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
PubChem CID24965411
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC Name(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1
InChIInChI=1S/C29H37N5O3/c1-19-16-23(21-8-5-4-6-9-21)27-31-24(18-33(27)17-19)25-10-7-13-34(25)29(36)26(22-11-14-37-15-12-22)32-28(35)20(2)30-3/h4-6,8-9,16-18,20,22,25-26,30H,7,10-15H2,1-3H3,(H,32,35)/t20-,25-,26-/m0/s1
InChIKeyPGDHPVSYGXPTMU-XZZVZQAVSA-N
XLogP3.49
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide (CID 24965411) is (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1.
What is the InChIKey of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?
The InChIKey is PGDHPVSYGXPTMU-XZZVZQAVSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-19-16-23(21-8-5-4-6-9-21)27-31-24(18-33(27)17-19)25-10-7-13-34(25)29(36)26(22-11-14-37-15-12-22)32-28(35)20(2)30-3/h4-6,8-9,16-18,20,22,25-26,30H,7,10-15H2,1-3H3,(H,32,35)/t20-,25-,26-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide?
(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide has a molecular weight of 503.65 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 24965411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).