1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol

C22H23FN6O — CID 139367522

IUPAC1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1c1cc(N2CCC(O)C2)cc(F)n1
InChIInChI=1S/C22H23FN6O/c1-14-17-12-25-22(19-4-2-3-7-24-19)26-18(17)6-9-29(14)21-11-15(10-20(23)27-21)28-8-5-16(30)13-28/h2-4,7,10-12,14,16,30H,5-6,8-9,13H2,1H3
InChIKeyMPSWTIWFVCAGFH-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol

1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol (PubChem CID 139367522) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol
PubChem CID139367522
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1c1cc(N2CCC(O)C2)cc(F)n1
InChIInChI=1S/C22H23FN6O/c1-14-17-12-25-22(19-4-2-3-7-24-19)26-18(17)6-9-29(14)21-11-15(10-20(23)27-21)28-8-5-16(30)13-28/h2-4,7,10-12,14,16,30H,5-6,8-9,13H2,1H3
InChIKeyMPSWTIWFVCAGFH-UHFFFAOYSA-N
XLogP2.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol (CID 139367522) is 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol is CC1c2cnc(-c3ccccn3)nc2CCN1c1cc(N2CCC(O)C2)cc(F)n1.
What is the InChIKey of 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol?
The InChIKey is MPSWTIWFVCAGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-14-17-12-25-22(19-4-2-3-7-24-19)26-18(17)6-9-29(14)21-11-15(10-20(23)27-21)28-8-5-16(30)13-28/h2-4,7,10-12,14,16,30H,5-6,8-9,13H2,1H3.
What are the key properties of 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol?
1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol has a molecular weight of 406.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 139367522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).