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

C23H26F2N8OS — CID 118640188

IUPAC1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C23H26F2N8OS/c24-23(25)8-7-14-18(23)28-21(33-10-3-6-16(33)20(34)30-22-26-9-11-35-22)29-19(14)27-17-12-15(31-32-17)13-4-1-2-5-13/h9,11-13,16H,1-8,10H2,(H,26,30,34)(H2,27,28,29,31,32)
InChIKeyLFVJTRFZUHIRGG-UHFFFAOYSA-N
MW500.58 g/mol
LogP4.70
Rot. Bonds6

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

1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 118640188) has the molecular formula C23H26F2N8OS and a molecular weight of 500.58 g/mol. Its IUPAC name is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[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]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID118640188
Molecular FormulaC23H26F2N8OS
Molecular Weight500.58 g/mol
Exact Mass500.19
IUPAC Name1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C23H26F2N8OS/c24-23(25)8-7-14-18(23)28-21(33-10-3-6-16(33)20(34)30-22-26-9-11-35-22)29-19(14)27-17-12-15(31-32-17)13-4-1-2-5-13/h9,11-13,16H,1-8,10H2,(H,26,30,34)(H2,27,28,29,31,32)
InChIKeyLFVJTRFZUHIRGG-UHFFFAOYSA-N
XLogP4.70
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[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]-7,7-difluoro-5,6-dihydrocyclopenta[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]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 118640188) is 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[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]-7,7-difluoro-5,6-dihydrocyclopenta[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]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)C(F)(F)CC2.
What is the InChIKey of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is LFVJTRFZUHIRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8OS/c24-23(25)8-7-14-18(23)28-21(33-10-3-6-16(33)20(34)30-22-26-9-11-35-22)29-19(14)27-17-12-15(31-32-17)13-4-1-2-5-13/h9,11-13,16H,1-8,10H2,(H,26,30,34)(H2,27,28,29,31,32).
What are the key properties of 1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 4.70, 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]-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).