N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H18F6N4O2 — CID 87734593

IUPACN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1c2ccoc2N=CN1c1ccc(NC(=O)C2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C24H18F6N4O2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22(6-7-22)21(35)33-16-1-3-17(4-2-16)34-12-32-20-18(19(34)31)5-8-36-20/h1-5,8-12,19H,6-7,31H2,(H,33,35)
InChIKeyZSEQPIXHMUNMFH-UHFFFAOYSA-N
MW508.42 g/mol
LogP6.12
Rot. Bonds4

About N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 87734593) has the molecular formula C24H18F6N4O2 and a molecular weight of 508.42 g/mol. Its IUPAC name is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID87734593
Molecular FormulaC24H18F6N4O2
Molecular Weight508.42 g/mol
Exact Mass508.13
IUPAC NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1c2ccoc2N=CN1c1ccc(NC(=O)C2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C24H18F6N4O2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22(6-7-22)21(35)33-16-1-3-17(4-2-16)34-12-32-20-18(19(34)31)5-8-36-20/h1-5,8-12,19H,6-7,31H2,(H,33,35)
InChIKeyZSEQPIXHMUNMFH-UHFFFAOYSA-N
XLogP6.12
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 87734593) is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NC1c2ccoc2N=CN1c1ccc(NC(=O)C2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZSEQPIXHMUNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N4O2/c25-23(26,27)14-9-13(10-15(11-14)24(28,29)30)22(6-7-22)21(35)33-16-1-3-17(4-2-16)34-12-32-20-18(19(34)31)5-8-36-20/h1-5,8-12,19H,6-7,31H2,(H,33,35).
What are the key properties of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 508.42 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 87734593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).