5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C28H32ClN5O2S — CID 171902488

IUPAC5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](Nc1cc(Cl)cnc1-c1cccnc1)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C28H32ClN5O2S/c1-17(32-22-14-20(29)16-31-26(22)19-7-4-12-30-15-19)24-10-11-25(37-24)28(36)34-23(13-18-5-2-3-6-18)27(35)33-21-8-9-21/h4,7,10-12,14-18,21,23,32H,2-3,5-6,8-9,13H2,1H3,(H,33,35)(H,34,36)/t17-,23-/m0/s1
InChIKeyAUULPFLBXSKPFM-SBUREZEXSA-N
MW538.12 g/mol
LogP5.99
Rot. Bonds10

About 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 171902488) has the molecular formula C28H32ClN5O2S and a molecular weight of 538.12 g/mol. Its IUPAC name is 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID171902488
Molecular FormulaC28H32ClN5O2S
Molecular Weight538.12 g/mol
Exact Mass537.20
IUPAC Name5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](Nc1cc(Cl)cnc1-c1cccnc1)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C28H32ClN5O2S/c1-17(32-22-14-20(29)16-31-26(22)19-7-4-12-30-15-19)24-10-11-25(37-24)28(36)34-23(13-18-5-2-3-6-18)27(35)33-21-8-9-21/h4,7,10-12,14-18,21,23,32H,2-3,5-6,8-9,13H2,1H3,(H,33,35)(H,34,36)/t17-,23-/m0/s1
InChIKeyAUULPFLBXSKPFM-SBUREZEXSA-N
XLogP5.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.12
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide 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 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 171902488) is 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@H](Nc1cc(Cl)cnc1-c1cccnc1)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1.
What is the InChIKey of 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is AUULPFLBXSKPFM-SBUREZEXSA-N. The full InChI is InChI=1S/C28H32ClN5O2S/c1-17(32-22-14-20(29)16-31-26(22)19-7-4-12-30-15-19)24-10-11-25(37-24)28(36)34-23(13-18-5-2-3-6-18)27(35)33-21-8-9-21/h4,7,10-12,14-18,21,23,32H,2-3,5-6,8-9,13H2,1H3,(H,33,35)(H,34,36)/t17-,23-/m0/s1.
What are the key properties of 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 538.12 g/mol, XLogP of 5.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(5-chloro-2-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171902488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).