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

C23H25FN8O2 — CID 90234784

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

(2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90234784) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 90234784
• Molecular Formula: C23H25FN8O2
• Molecular Weight: 464.51 g/mol
• Exact Mass: 464.21
• IUPAC Name: (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(F)nc1)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4C[C@@H]4O)[nH]n3)n1)CCC2
• InChI: InChI=1S/C23H25FN8O2/c24-19-7-6-12(11-25-19)26-22(34)17-5-2-8-32(17)23-27-15-4-1-3-13(15)21(29-23)28-20-10-16(30-31-20)14-9-18(14)33/h6-7,10-11,14,17-18,33H,1-5,8-9H2,(H,26,34)(H2,27,28,29,30,31)/t14?,17-,18+/m1/s1
• InChIKey: BLRZUWLIXLROHE-QIWLAUOQSA-N
• XLogP: 2.42
• TPSA: 131.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.51
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 90234784) is (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)nc1)[C@H]1CCCN1c1nc2c(c(Nc3cc(C4C[C@@H]4O)[nH]n3)n1)CCC2.

What is the InChIKey of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is BLRZUWLIXLROHE-QIWLAUOQSA-N. The full InChI is InChI=1S/C23H25FN8O2/c24-19-7-6-12(11-25-19)26-22(34)17-5-2-8-32(17)23-27-15-4-1-3-13(15)21(29-23)28-20-10-16(30-31-20)14-9-18(14)33/h6-7,10-11,14,17-18,33H,1-5,8-9H2,(H,26,34)(H2,27,28,29,30,31)/t14?,17-,18+/m1/s1.

What are the key properties of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

(2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2S)-2-hydroxycyclopropyl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90234784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).