N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide

C22H34FN7O2S — CID 68551136

IUPACN-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCc1ncc(-c2nc(N[C@@H]3CC[C@H](NS(=O)(=O)CCN4CCCC4)C3)ncc2F)n1C(C)C
InChIInChI=1S/C22H34FN7O2S/c1-15(2)30-16(3)24-14-20(30)21-19(23)13-25-22(27-21)26-17-6-7-18(12-17)28-33(31,32)11-10-29-8-4-5-9-29/h13-15,17-18,28H,4-12H2,1-3H3,(H,25,26,27)/t17-,18+/m1/s1
InChIKeyGLUDBEGWMISWQS-MSOLQXFVSA-N
MW479.63 g/mol
LogP2.72
Rot. Bonds9

About N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide

N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide (PubChem CID 68551136) has the molecular formula C22H34FN7O2S and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide
PubChem CID68551136
Molecular FormulaC22H34FN7O2S
Molecular Weight479.63 g/mol
Exact Mass479.25
IUPAC NameN-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide
SMILESCc1ncc(-c2nc(N[C@@H]3CC[C@H](NS(=O)(=O)CCN4CCCC4)C3)ncc2F)n1C(C)C
InChIInChI=1S/C22H34FN7O2S/c1-15(2)30-16(3)24-14-20(30)21-19(23)13-25-22(27-21)26-17-6-7-18(12-17)28-33(31,32)11-10-29-8-4-5-9-29/h13-15,17-18,28H,4-12H2,1-3H3,(H,25,26,27)/t17-,18+/m1/s1
InChIKeyGLUDBEGWMISWQS-MSOLQXFVSA-N
XLogP2.72
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide 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-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide?
The IUPAC name of N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide (CID 68551136) is N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide is Cc1ncc(-c2nc(N[C@@H]3CC[C@H](NS(=O)(=O)CCN4CCCC4)C3)ncc2F)n1C(C)C.
What is the InChIKey of N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide?
The InChIKey is GLUDBEGWMISWQS-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H34FN7O2S/c1-15(2)30-16(3)24-14-20(30)21-19(23)13-25-22(27-21)26-17-6-7-18(12-17)28-33(31,32)11-10-29-8-4-5-9-29/h13-15,17-18,28H,4-12H2,1-3H3,(H,25,26,27)/t17-,18+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide?
N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide has a molecular weight of 479.63 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide is sourced from PubChem (CID 68551136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).