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

C23H25FN8O — CID 90234137

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H25FN8O/c24-19-9-8-14(12-25-19)26-22(33)18-5-2-10-32(18)23-27-16-4-1-3-15(16)21(29-23)28-20-11-17(30-31-20)13-6-7-13/h8-9,11-13,18H,1-7,10H2,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1
InChIKeyKGGBGUOAGOXBTN-SFHVURJKSA-N
MW448.51 g/mol
LogP3.45
Rot. Bonds6

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

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 90234137) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID90234137
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H25FN8O/c24-19-9-8-14(12-25-19)26-22(33)18-5-2-10-32(18)23-27-16-4-1-3-15(16)21(29-23)28-20-11-17(30-31-20)13-6-7-13/h8-9,11-13,18H,1-7,10H2,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1
InChIKeyKGGBGUOAGOXBTN-SFHVURJKSA-N
XLogP3.45
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide (CID 90234137) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is KGGBGUOAGOXBTN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN8O/c24-19-9-8-14(12-25-19)26-22(33)18-5-2-10-32(18)23-27-16-4-1-3-15(16)21(29-23)28-20-11-17(30-31-20)13-6-7-13/h8-9,11-13,18H,1-7,10H2,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(6-fluoro-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90234137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).