4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine

C24H24FN5 — CID 44565147

IUPAC4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine
SMILESCN1CCC(c2ccc3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C24H24FN5/c1-30-12-9-15(10-13-30)17-4-7-19-21(14-17)28-23(16-2-5-18(25)6-3-16)22(19)20-8-11-27-24(26)29-20/h2-8,11,14-15,28H,9-10,12-13H2,1H3,(H2,26,27,29)
InChIKeyCKQLSZGDNOQAGM-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.82
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine (PubChem CID 44565147) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine
PubChem CID44565147
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine
SMILESCN1CCC(c2ccc3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)[nH]c3c2)CC1
InChIInChI=1S/C24H24FN5/c1-30-12-9-15(10-13-30)17-4-7-19-21(14-17)28-23(16-2-5-18(25)6-3-16)22(19)20-8-11-27-24(26)29-20/h2-8,11,14-15,28H,9-10,12-13H2,1H3,(H2,26,27,29)
InChIKeyCKQLSZGDNOQAGM-UHFFFAOYSA-N
XLogP4.82
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Toreforant
CID 23650961
Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
Ngd-8243
CID 11247522
Sy-5609
CID 146662729
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
Pazelliptine
CID 68853
PF-4708671
CID 51371303
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-775,606
CID 6426760
Gevotroline
CID 60547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine (CID 44565147) is 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine is CN1CCC(c2ccc3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)[nH]c3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine?
The InChIKey is CKQLSZGDNOQAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-30-12-9-15(10-13-30)17-4-7-19-21(14-17)28-23(16-2-5-18(25)6-3-16)22(19)20-8-11-27-24(26)29-20/h2-8,11,14-15,28H,9-10,12-13H2,1H3,(H2,26,27,29).
What are the key properties of 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine has a molecular weight of 401.49 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44565147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).