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

C24H23N7OS — CID 164628676

IUPAC[(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-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-c3ccccc3)n2)C1
InChIInChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1
InChIKeyWMOACOPVFVMARL-GOSISDBHSA-N
MW457.56 g/mol
LogP3.99
Rot. Bonds6

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

[(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 164628676) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID164628676
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name[(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-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-c3ccccc3)n2)C1
InChIInChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1
InChIKeyWMOACOPVFVMARL-GOSISDBHSA-N
XLogP3.99
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 164628676) is [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-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-c3ccccc3)n2)C1.
What is the InChIKey of [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is WMOACOPVFVMARL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1.
What are the key properties of [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 457.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(4-cyclopropyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 164628676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).