[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone

C21H18ClFN6OS — CID 58264136

IUPAC[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(F)n1)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H18ClFN6OS/c22-15-10-25-21(28-18(15)14-9-24-16-4-2-1-3-13(14)16)26-12-5-7-29(8-6-12)19(30)17-11-31-20(23)27-17/h1-4,9-12,24H,5-8H2,(H,25,26,28)
InChIKeyISRVCVPOQLKTHM-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.59
Rot. Bonds4

About [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone

[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone (PubChem CID 58264136) has the molecular formula C21H18ClFN6OS and a molecular weight of 456.93 g/mol. Its IUPAC name is [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone
PubChem CID58264136
Molecular FormulaC21H18ClFN6OS
Molecular Weight456.93 g/mol
Exact Mass456.09
IUPAC Name[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(F)n1)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H18ClFN6OS/c22-15-10-25-21(28-18(15)14-9-24-16-4-2-1-3-13(14)16)26-12-5-7-29(8-6-12)19(30)17-11-31-20(23)27-17/h1-4,9-12,24H,5-8H2,(H,25,26,28)
InChIKeyISRVCVPOQLKTHM-UHFFFAOYSA-N
XLogP4.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone 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 [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone (CID 58264136) is [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone is O=C(c1csc(F)n1)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone?
The InChIKey is ISRVCVPOQLKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6OS/c22-15-10-25-21(28-18(15)14-9-24-16-4-2-1-3-13(14)16)26-12-5-7-29(8-6-12)19(30)17-11-31-20(23)27-17/h1-4,9-12,24H,5-8H2,(H,25,26,28).
What are the key properties of [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone?
[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone has a molecular weight of 456.93 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-(2-fluoro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 58264136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).