N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C26H19F2N5O2S — CID 59362735

IUPACN-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3ccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)s3)cc12
InChIInChI=1S/C26H19F2N5O2S/c27-20-6-3-15(10-21(20)28)13-33-9-1-2-18(26(33)35)25(34)30-12-17-5-8-23(36-17)16-4-7-22-19(11-16)24(29)32-14-31-22/h1-11,14H,12-13H2,(H,30,34)(H2,29,31,32)
InChIKeyLFIXISSKTCEOLA-UHFFFAOYSA-N
MW503.53 g/mol
LogP4.36
Rot. Bonds6

About N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362735) has the molecular formula C26H19F2N5O2S and a molecular weight of 503.53 g/mol. Its IUPAC name is N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID59362735
Molecular FormulaC26H19F2N5O2S
Molecular Weight503.53 g/mol
Exact Mass503.12
IUPAC NameN-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3ccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)s3)cc12
InChIInChI=1S/C26H19F2N5O2S/c27-20-6-3-15(10-21(20)28)13-33-9-1-2-18(26(33)35)25(34)30-12-17-5-8-23(36-17)16-4-7-22-19(11-16)24(29)32-14-31-22/h1-11,14H,12-13H2,(H,30,34)(H2,29,31,32)
InChIKeyLFIXISSKTCEOLA-UHFFFAOYSA-N
XLogP4.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 59362735) is N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is Nc1ncnc2ccc(-c3ccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)s3)cc12.
What is the InChIKey of N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is LFIXISSKTCEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2S/c27-20-6-3-15(10-21(20)28)13-33-9-1-2-18(26(33)35)25(34)30-12-17-5-8-23(36-17)16-4-7-22-19(11-16)24(29)32-14-31-22/h1-11,14H,12-13H2,(H,30,34)(H2,29,31,32).
What are the key properties of N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).