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

C23H27FN8O2 — CID 90234810

IUPAC(2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](CO)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ccc(F)nc3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C23H27FN8O2/c1-13(12-33)17-10-20(31-30-17)28-21-15-4-2-5-16(15)27-23(29-21)32-9-3-6-18(32)22(34)26-14-7-8-19(24)25-11-14/h7-8,10-11,13,18,33H,2-6,9,12H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t13-,18+/m0/s1
InChIKeyJSWAQBGDYQANPB-SCLBCKFNSA-N
MW466.52 g/mol
LogP2.67
Rot. Bonds7

About (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90234810) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID90234810
Molecular FormulaC23H27FN8O2
Molecular Weight466.52 g/mol
Exact Mass466.22
IUPAC Name(2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](CO)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ccc(F)nc3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C23H27FN8O2/c1-13(12-33)17-10-20(31-30-17)28-21-15-4-2-5-16(15)27-23(29-21)32-9-3-6-18(32)22(34)26-14-7-8-19(24)25-11-14/h7-8,10-11,13,18,33H,2-6,9,12H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t13-,18+/m0/s1
InChIKeyJSWAQBGDYQANPB-SCLBCKFNSA-N
XLogP2.67
TPSA131.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.67
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 (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 90234810) is (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is C[C@@H](CO)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ccc(F)nc3)nc3c2CCC3)n[nH]1.
What is the InChIKey of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is JSWAQBGDYQANPB-SCLBCKFNSA-N. The full InChI is InChI=1S/C23H27FN8O2/c1-13(12-33)17-10-20(31-30-17)28-21-15-4-2-5-16(15)27-23(29-21)32-9-3-6-18(32)22(34)26-14-7-8-19(24)25-11-14/h7-8,10-11,13,18,33H,2-6,9,12H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t13-,18+/m0/s1.
What are the key properties of (2R)-N-(6-fluoro-3-pyridinyl)-1-[4-[[5-[(2R)-1-hydroxypropan-2-yl]-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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.67, 7 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-[(2R)-1-hydroxypropan-2-yl]-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90234810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).