N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide

C30H37ClN6O4 — CID 135350724

IUPACN-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn2cc(Cl)ccc2n1)NC(=O)CC
InChIInChI=1S/C30H37ClN6O4/c1-3-28(38)35-26(16-25-20-37-19-23(31)9-10-27(37)33-25)30(40)34-24(15-22-7-5-4-6-8-22)17-32-29(39)21(2)18-36-11-13-41-14-12-36/h4-10,19-20,24,26H,2-3,11-18H2,1H3,(H,32,39)(H,34,40)(H,35,38)/t24-,26-/m0/s1
InChIKeyKFDPEYNJZFAXAS-AHWVRZQESA-N
MW581.12 g/mol
LogP2.16
Rot. Bonds13

About N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide

N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 135350724) has the molecular formula C30H37ClN6O4 and a molecular weight of 581.12 g/mol. Its IUPAC name is N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID135350724
Molecular FormulaC30H37ClN6O4
Molecular Weight581.12 g/mol
Exact Mass580.26
IUPAC NameN-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn2cc(Cl)ccc2n1)NC(=O)CC
InChIInChI=1S/C30H37ClN6O4/c1-3-28(38)35-26(16-25-20-37-19-23(31)9-10-27(37)33-25)30(40)34-24(15-22-7-5-4-6-8-22)17-32-29(39)21(2)18-36-11-13-41-14-12-36/h4-10,19-20,24,26H,2-3,11-18H2,1H3,(H,32,39)(H,34,40)(H,35,38)/t24-,26-/m0/s1
InChIKeyKFDPEYNJZFAXAS-AHWVRZQESA-N
XLogP2.16
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.12
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 135350724) is N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn2cc(Cl)ccc2n1)NC(=O)CC.
What is the InChIKey of N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is KFDPEYNJZFAXAS-AHWVRZQESA-N. The full InChI is InChI=1S/C30H37ClN6O4/c1-3-28(38)35-26(16-25-20-37-19-23(31)9-10-27(37)33-25)30(40)34-24(15-22-7-5-4-6-8-22)17-32-29(39)21(2)18-36-11-13-41-14-12-36/h4-10,19-20,24,26H,2-3,11-18H2,1H3,(H,32,39)(H,34,40)(H,35,38)/t24-,26-/m0/s1.
What are the key properties of N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 581.12 g/mol, XLogP of 2.16, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(2S)-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropyl]-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 135350724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).