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

C23H26F2N8OS — CID 129114293

IUPAC(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CC(F)(F)CN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H26F2N8OS/c24-23(25)11-17(20(34)30-22-26-8-9-35-22)33(12-23)21-27-15-7-3-6-14(15)19(29-21)28-18-10-16(31-32-18)13-4-1-2-5-13/h8-10,13,17H,1-7,11-12H2,(H,26,30,34)(H2,27,28,29,31,32)/t17-/m0/s1
InChIKeyCFFCIJLUERDJER-KRWDZBQOSA-N
MW500.58 g/mol
LogP4.40
Rot. Bonds6

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

(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114293) has the molecular formula C23H26F2N8OS and a molecular weight of 500.58 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID129114293
Molecular FormulaC23H26F2N8OS
Molecular Weight500.58 g/mol
Exact Mass500.19
IUPAC Name(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CC(F)(F)CN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H26F2N8OS/c24-23(25)11-17(20(34)30-22-26-8-9-35-22)33(12-23)21-27-15-7-3-6-14(15)19(29-21)28-18-10-16(31-32-18)13-4-1-2-5-13/h8-10,13,17H,1-7,11-12H2,(H,26,30,34)(H2,27,28,29,31,32)/t17-/m0/s1
InChIKeyCFFCIJLUERDJER-KRWDZBQOSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 129114293) is (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CC(F)(F)CN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2.
What is the InChIKey of (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CFFCIJLUERDJER-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26F2N8OS/c24-23(25)11-17(20(34)30-22-26-8-9-35-22)33(12-23)21-27-15-7-3-6-14(15)19(29-21)28-18-10-16(31-32-18)13-4-1-2-5-13/h8-10,13,17H,1-7,11-12H2,(H,26,30,34)(H2,27,28,29,31,32)/t17-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 500.58 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 (2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).