1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C24H30N8OS — CID 118640252

IUPAC1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC1Cc2nc(N3CCCC3C(=O)Nc3nccs3)nc(Nc3cc(C4CCCC4)[nH]n3)c2C1
InChIInChI=1S/C24H30N8OS/c1-14-11-16-18(12-14)26-23(32-9-4-7-19(32)22(33)29-24-25-8-10-34-24)28-21(16)27-20-13-17(30-31-20)15-5-2-3-6-15/h8,10,13-15,19H,2-7,9,11-12H2,1H3,(H,25,29,33)(H2,26,27,28,30,31)
InChIKeyHGRAMANIMCJJTG-UHFFFAOYSA-N
MW478.63 g/mol
LogP4.40
Rot. Bonds6

About 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 118640252) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID118640252
Molecular FormulaC24H30N8OS
Molecular Weight478.63 g/mol
Exact Mass478.23
IUPAC Name1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC1Cc2nc(N3CCCC3C(=O)Nc3nccs3)nc(Nc3cc(C4CCCC4)[nH]n3)c2C1
InChIInChI=1S/C24H30N8OS/c1-14-11-16-18(12-14)26-23(32-9-4-7-19(32)22(33)29-24-25-8-10-34-24)28-21(16)27-20-13-17(30-31-20)15-5-2-3-6-15/h8,10,13-15,19H,2-7,9,11-12H2,1H3,(H,25,29,33)(H2,26,27,28,30,31)
InChIKeyHGRAMANIMCJJTG-UHFFFAOYSA-N
XLogP4.40
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 118640252) is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CC1Cc2nc(N3CCCC3C(=O)Nc3nccs3)nc(Nc3cc(C4CCCC4)[nH]n3)c2C1.
What is the InChIKey of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HGRAMANIMCJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-14-11-16-18(12-14)26-23(32-9-4-7-19(32)22(33)29-24-25-8-10-34-24)28-21(16)27-20-13-17(30-31-20)15-5-2-3-6-15/h8,10,13-15,19H,2-7,9,11-12H2,1H3,(H,25,29,33)(H2,26,27,28,30,31).
What are the key properties of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 478.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118640252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).