[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

C24H22ClN7OS — CID 162679294

IUPAC[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CC[C@@H](Nc2nccc(-n3cc(C4CC4)nc3-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C24H22ClN7OS/c25-17-3-1-2-16(12-17)21-29-19(15-4-5-15)14-32(21)20-6-8-27-24(30-20)28-18-7-10-31(13-18)23(33)22-26-9-11-34-22/h1-3,6,8-9,11-12,14-15,18H,4-5,7,10,13H2,(H,27,28,30)/t18-/m1/s1
InChIKeyCGLRMVOGIUJFAA-GOSISDBHSA-N
MW492.01 g/mol
LogP4.64
Rot. Bonds6

About [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 162679294) has the molecular formula C24H22ClN7OS and a molecular weight of 492.01 g/mol. Its IUPAC name is [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID162679294
Molecular FormulaC24H22ClN7OS
Molecular Weight492.01 g/mol
Exact Mass491.13
IUPAC Name[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CC[C@@H](Nc2nccc(-n3cc(C4CC4)nc3-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C24H22ClN7OS/c25-17-3-1-2-16(12-17)21-29-19(15-4-5-15)14-32(21)20-6-8-27-24(30-20)28-18-7-10-31(13-18)23(33)22-26-9-11-34-22/h1-3,6,8-9,11-12,14-15,18H,4-5,7,10,13H2,(H,27,28,30)/t18-/m1/s1
InChIKeyCGLRMVOGIUJFAA-GOSISDBHSA-N
XLogP4.64
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.01
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 162679294) is [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CC[C@@H](Nc2nccc(-n3cc(C4CC4)nc3-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is CGLRMVOGIUJFAA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22ClN7OS/c25-17-3-1-2-16(12-17)21-29-19(15-4-5-15)14-32(21)20-6-8-27-24(30-20)28-18-7-10-31(13-18)23(33)22-26-9-11-34-22/h1-3,6,8-9,11-12,14-15,18H,4-5,7,10,13H2,(H,27,28,30)/t18-/m1/s1.
What are the key properties of [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 492.01 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-[2-(3-chlorophenyl)-4-cyclopropylimidazol-1-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 162679294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).