[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol

C18H17FN4O — CID 139005457

IUPAC[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1
InChIInChI=1S/C18H17FN4O/c19-13-1-2-15-16(10-21-17(15)9-13)12-4-7-23(8-5-12)18-20-6-3-14(11-24)22-18/h1-4,6,9-10,21,24H,5,7-8,11H2
InChIKeyZVFGYKBOBYNIPN-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.88
Rot. Bonds3

About [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol

[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol (PubChem CID 139005457) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol
PubChem CID139005457
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1
InChIInChI=1S/C18H17FN4O/c19-13-1-2-15-16(10-21-17(15)9-13)12-4-7-23(8-5-12)18-20-6-3-14(11-24)22-18/h1-4,6,9-10,21,24H,5,7-8,11H2
InChIKeyZVFGYKBOBYNIPN-UHFFFAOYSA-N
XLogP2.88
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol (CID 139005457) is [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol is OCc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n1.
What is the InChIKey of [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol?
The InChIKey is ZVFGYKBOBYNIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-13-1-2-15-16(10-21-17(15)9-13)12-4-7-23(8-5-12)18-20-6-3-14(11-24)22-18/h1-4,6,9-10,21,24H,5,7-8,11H2.
What are the key properties of [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol?
[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 324.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 139005457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).