1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C26H25FN4O4 — CID 91228180

IUPAC1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2oc3ncnc(N4CCC(C(N)=O)CC4)c3c2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C26H25FN4O4/c1-33-19-8-5-17(13-20(19)34-2)23-21(15-3-6-18(27)7-4-15)22-25(29-14-30-26(22)35-23)31-11-9-16(10-12-31)24(28)32/h3-8,13-14,16H,9-12H2,1-2H3,(H2,28,32)
InChIKeyHVUJGNAOJCQDAL-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.41
Rot. Bonds6

About 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91228180) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91228180
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2oc3ncnc(N4CCC(C(N)=O)CC4)c3c2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C26H25FN4O4/c1-33-19-8-5-17(13-20(19)34-2)23-21(15-3-6-18(27)7-4-15)22-25(29-14-30-26(22)35-23)31-11-9-16(10-12-31)24(28)32/h3-8,13-14,16H,9-12H2,1-2H3,(H2,28,32)
InChIKeyHVUJGNAOJCQDAL-UHFFFAOYSA-N
XLogP4.41
TPSA103.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91381525
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
CID 142215854
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
6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
CID 91247571
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
CID 142215847
[1-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 90759187
ethyl 4-(4-carbamoylpiperidin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924859
(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
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
(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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 91228180) is 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(-c2oc3ncnc(N4CCC(C(N)=O)CC4)c3c2-c2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is HVUJGNAOJCQDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-33-19-8-5-17(13-20(19)34-2)23-21(15-3-6-18(27)7-4-15)22-25(29-14-30-26(22)35-23)31-11-9-16(10-12-31)24(28)32/h3-8,13-14,16H,9-12H2,1-2H3,(H2,28,32).
What are the key properties of 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91228180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).