1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone

C22H27N7OS — CID 147674168

IUPAC1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCC(C)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)[nH]1
InChIInChI=1S/C22H27N7OS/c1-13(2)16-12-24-21(25-16)27-20-14-5-3-6-15(14)26-22(28-20)29-9-4-7-17(29)18(30)11-19-23-8-10-31-19/h8,10,12-13,17H,3-7,9,11H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGNVIVTXXGJWCOW-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.79
Rot. Bonds7

About 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone

1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 147674168) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID147674168
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC Name1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCC(C)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)[nH]1
InChIInChI=1S/C22H27N7OS/c1-13(2)16-12-24-21(25-16)27-20-14-5-3-6-15(14)26-22(28-20)29-9-4-7-17(29)18(30)11-19-23-8-10-31-19/h8,10,12-13,17H,3-7,9,11H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGNVIVTXXGJWCOW-UHFFFAOYSA-N
XLogP3.79
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone 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 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone (CID 147674168) is 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone is CC(C)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)[nH]1.
What is the InChIKey of 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is GNVIVTXXGJWCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-13(2)16-12-24-21(25-16)27-20-14-5-3-6-15(14)26-22(28-20)29-9-4-7-17(29)18(30)11-19-23-8-10-31-19/h8,10,12-13,17H,3-7,9,11H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone?
1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 437.57 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 147674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).