5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol

C29H32N4O3 — CID 89049958

IUPAC5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
SMILESC=C(O)CCCN1CCCC(Nc2ncnc3oc(-c4ccccc4)c(-c4ccc(OC)cc4)c23)C1
InChIInChI=1S/C29H32N4O3/c1-20(34)8-6-16-33-17-7-11-23(18-33)32-28-26-25(21-12-14-24(35-2)15-13-21)27(22-9-4-3-5-10-22)36-29(26)31-19-30-28/h3-5,9-10,12-15,19,23,34H,1,6-8,11,16-18H2,2H3,(H,30,31,32)
InChIKeyUCAZSZJFLHHDPQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.29
Rot. Bonds9

About 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol

5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol (PubChem CID 89049958) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol.

Molecular Properties

Compound Name5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
PubChem CID89049958
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
SMILESC=C(O)CCCN1CCCC(Nc2ncnc3oc(-c4ccccc4)c(-c4ccc(OC)cc4)c23)C1
InChIInChI=1S/C29H32N4O3/c1-20(34)8-6-16-33-17-7-11-23(18-33)32-28-26-25(21-12-14-24(35-2)15-13-21)27(22-9-4-3-5-10-22)36-29(26)31-19-30-28/h3-5,9-10,12-15,19,23,34H,1,6-8,11,16-18H2,2H3,(H,30,31,32)
InChIKeyUCAZSZJFLHHDPQ-UHFFFAOYSA-N
XLogP6.29
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol?
The IUPAC name of 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol (CID 89049958) is 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol.
What is the SMILES notation for 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol?
The canonical SMILES for 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol is C=C(O)CCCN1CCCC(Nc2ncnc3oc(-c4ccccc4)c(-c4ccc(OC)cc4)c23)C1.
What is the InChIKey of 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol?
The InChIKey is UCAZSZJFLHHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(34)8-6-16-33-17-7-11-23(18-33)32-28-26-25(21-12-14-24(35-2)15-13-21)27(22-9-4-3-5-10-22)36-29(26)31-19-30-28/h3-5,9-10,12-15,19,23,34H,1,6-8,11,16-18H2,2H3,(H,30,31,32).
What are the key properties of 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol?
5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol has a molecular weight of 484.60 g/mol, XLogP of 6.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol is sourced from PubChem (CID 89049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).