(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide

C28H35N5O3 — CID 24829352

IUPAC(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1
InChIInChI=1S/C28H35N5O3/c1-19(29-2)27(34)31-26(21-13-16-36-17-14-21)28(35)32-15-7-11-24(32)22-18-33-23(10-6-12-25(33)30-22)20-8-4-3-5-9-20/h3-6,8-10,12,18-19,21,24,26,29H,7,11,13-17H2,1-2H3,(H,31,34)/t19-,24-,26-/m0/s1
InChIKeyGAXADGMNTUADGG-YLORPAJWSA-N
MW489.62 g/mol
LogP3.18
Rot. Bonds7

About (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide

(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 24829352) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
PubChem CID24829352
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1
InChIInChI=1S/C28H35N5O3/c1-19(29-2)27(34)31-26(21-13-16-36-17-14-21)28(35)32-15-7-11-24(32)22-18-33-23(10-6-12-25(33)30-22)20-8-4-3-5-9-20/h3-6,8-10,12,18-19,21,24,26,29H,7,11,13-17H2,1-2H3,(H,31,34)/t19-,24-,26-/m0/s1
InChIKeyGAXADGMNTUADGG-YLORPAJWSA-N
XLogP3.18
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide (CID 24829352) is (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(-c3ccccc3)cccc2n1)C1CCOCC1.
What is the InChIKey of (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is GAXADGMNTUADGG-YLORPAJWSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-19(29-2)27(34)31-26(21-13-16-36-17-14-21)28(35)32-15-7-11-24(32)22-18-33-23(10-6-12-25(33)30-22)20-8-4-3-5-9-20/h3-6,8-10,12,18-19,21,24,26,29H,7,11,13-17H2,1-2H3,(H,31,34)/t19-,24-,26-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide?
(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 489.62 g/mol, XLogP of 3.18, 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)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 24829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).