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

C28H34FN5O3 — CID 59334648

IUPAC(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(F)cc3)c2n1)C1CCOCC1
InChIInChI=1S/C28H34FN5O3/c1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16H2,1-2H3,(H,32,35)/t18-,24-,25-/m0/s1
InChIKeyFEEGKHMPCLHNKE-WDNCENIBSA-N
MW507.61 g/mol
LogP3.32
Rot. Bonds7

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

(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 59334648) has the molecular formula C28H34FN5O3 and a molecular weight of 507.61 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
PubChem CID59334648
Molecular FormulaC28H34FN5O3
Molecular Weight507.61 g/mol
Exact Mass507.26
IUPAC Name(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(F)cc3)c2n1)C1CCOCC1
InChIInChI=1S/C28H34FN5O3/c1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16H2,1-2H3,(H,32,35)/t18-,24-,25-/m0/s1
InChIKeyFEEGKHMPCLHNKE-WDNCENIBSA-N
XLogP3.32
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide (CID 59334648) is (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(F)cc3)c2n1)C1CCOCC1.
What is the InChIKey of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide?
The InChIKey is FEEGKHMPCLHNKE-WDNCENIBSA-N. The full InChI is InChI=1S/C28H34FN5O3/c1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16H2,1-2H3,(H,32,35)/t18-,24-,25-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide?
(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 507.61 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 59334648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).