1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine

C26H27FN6O2 — CID 90759187

IUPAC1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H27FN6O2/c27-19-4-1-17(2-5-19)22-23-25(33-9-7-20(28)8-10-33)30-16-31-26(23)35-24(22)18-3-6-21(29-15-18)32-11-13-34-14-12-32/h1-6,15-16,20H,7-14,28H2
InChIKeyIVQNDONZXAYINX-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.86
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine

1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine (PubChem CID 90759187) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
PubChem CID90759187
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H27FN6O2/c27-19-4-1-17(2-5-19)22-23-25(33-9-7-20(28)8-10-33)30-16-31-26(23)35-24(22)18-3-6-21(29-15-18)32-11-13-34-14-12-32/h1-6,15-16,20H,7-14,28H2
InChIKeyIVQNDONZXAYINX-UHFFFAOYSA-N
XLogP3.86
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[5-(4-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]furo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91134713
4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91381525
[1-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 91228180
6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
CID 142215854
(2S)-2,5-diamino-N-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]phenyl]pentanamide
CID 90941776
(2S)-2,6-diamino-N-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]phenyl]hexanamide
CID 90714792
6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
CID 91247571
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
tert-butyl N-[(2S)-1-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 90907553
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide
CID 90955087

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine (CID 90759187) is 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine is NC1CCN(c2ncnc3oc(-c4ccc(N5CCOCC5)nc4)c(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is IVQNDONZXAYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c27-19-4-1-17(2-5-19)22-23-25(33-9-7-20(28)8-10-33)30-16-31-26(23)35-24(22)18-3-6-21(29-15-18)32-11-13-34-14-12-32/h1-6,15-16,20H,7-14,28H2.
What are the key properties of 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine?
1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine has a molecular weight of 474.54 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 90759187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).