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

C23H28N8O2S — CID 129114139

IUPAC(2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)[C@@H](O)CC2
InChIInChI=1S/C23H28N8O2S/c32-17-8-7-14-19(17)26-22(31-10-3-6-16(31)21(33)28-23-24-9-11-34-23)27-20(14)25-18-12-15(29-30-18)13-4-1-2-5-13/h9,11-13,16-17,32H,1-8,10H2,(H,24,28,33)(H2,25,26,27,29,30)/t16-,17-/m0/s1
InChIKeyBAUCSRQPRAYWPX-IRXDYDNUSA-N
MW480.60 g/mol
LogP3.64
Rot. Bonds6

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

(2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 129114139) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID129114139
Molecular FormulaC23H28N8O2S
Molecular Weight480.60 g/mol
Exact Mass480.21
IUPAC Name(2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)[C@@H](O)CC2
InChIInChI=1S/C23H28N8O2S/c32-17-8-7-14-19(17)26-22(31-10-3-6-16(31)21(33)28-23-24-9-11-34-23)27-20(14)25-18-12-15(29-30-18)13-4-1-2-5-13/h9,11-13,16-17,32H,1-8,10H2,(H,24,28,33)(H2,25,26,27,29,30)/t16-,17-/m0/s1
InChIKeyBAUCSRQPRAYWPX-IRXDYDNUSA-N
XLogP3.64
TPSA131.95 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-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 (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 129114139) is (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc(C3CCCC3)[nH]n2)c2c(n1)[C@@H](O)CC2.
What is the InChIKey of (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is BAUCSRQPRAYWPX-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H28N8O2S/c32-17-8-7-14-19(17)26-22(31-10-3-6-16(31)21(33)28-23-24-9-11-34-23)27-20(14)25-18-12-15(29-30-18)13-4-1-2-5-13/h9,11-13,16-17,32H,1-8,10H2,(H,24,28,33)(H2,25,26,27,29,30)/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 480.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(7S)-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).