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

C23H25FN8O2 — CID 90234464

IUPAC(2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4(O)CC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H25FN8O2/c24-18-7-6-13(12-25-18)26-21(33)16-5-2-10-32(16)22-27-15-4-1-3-14(15)20(29-22)28-19-11-17(30-31-19)23(34)8-9-23/h6-7,11-12,16,34H,1-5,8-10H2,(H,26,33)(H2,27,28,29,30,31)/t16-/m0/s1
InChIKeyCFJFNBCNYQRVSY-INIZCTEOSA-N
MW464.51 g/mol
LogP2.56
Rot. Bonds6

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

(2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90234464) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID90234464
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC Name(2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc2c(c(Nc3cc(C4(O)CC4)[nH]n3)n1)CCC2
InChIInChI=1S/C23H25FN8O2/c24-18-7-6-13(12-25-18)26-21(33)16-5-2-10-32(16)22-27-15-4-1-3-14(15)20(29-22)28-19-11-17(30-31-19)23(34)8-9-23/h6-7,11-12,16,34H,1-5,8-10H2,(H,26,33)(H2,27,28,29,30,31)/t16-/m0/s1
InChIKeyCFJFNBCNYQRVSY-INIZCTEOSA-N
XLogP2.56
TPSA131.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 90234464) is (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-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(C4(O)CC4)[nH]n3)n1)CCC2.
What is the InChIKey of (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is CFJFNBCNYQRVSY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25FN8O2/c24-18-7-6-13(12-25-18)26-21(33)16-5-2-10-32(16)22-27-15-4-1-3-14(15)20(29-22)28-19-11-17(30-31-19)23(34)8-9-23/h6-7,11-12,16,34H,1-5,8-10H2,(H,26,33)(H2,27,28,29,30,31)/t16-/m0/s1.
What are the key properties of (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-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 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).