N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

C31H28FN7O4 — CID 67515503

IUPACN-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5ccc(C)o5)cc4n3)c(F)c2)cc1
InChIInChI=1S/C31H28FN7O4/c1-18-3-10-27(43-18)20-15-26-28(33-17-20)30(39-11-13-42-14-12-39)38-29(37-26)24-9-8-23(16-25(24)32)36-31(41)35-22-6-4-21(5-7-22)34-19(2)40/h3-10,15-17H,11-14H2,1-2H3,(H,34,40)(H2,35,36,41)
InChIKeyXTCBOZKXKROWDQ-UHFFFAOYSA-N
MW581.61 g/mol
LogP5.84
Rot. Bonds6

About N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 67515503) has the molecular formula C31H28FN7O4 and a molecular weight of 581.61 g/mol. Its IUPAC name is N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
PubChem CID67515503
Molecular FormulaC31H28FN7O4
Molecular Weight581.61 g/mol
Exact Mass581.22
IUPAC NameN-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5ccc(C)o5)cc4n3)c(F)c2)cc1
InChIInChI=1S/C31H28FN7O4/c1-18-3-10-27(43-18)20-15-26-28(33-17-20)30(39-11-13-42-14-12-39)38-29(37-26)24-9-8-23(16-25(24)32)36-31(41)35-22-6-4-21(5-7-22)34-19(2)40/h3-10,15-17H,11-14H2,1-2H3,(H,34,40)(H2,35,36,41)
InChIKeyXTCBOZKXKROWDQ-UHFFFAOYSA-N
XLogP5.84
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.61
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185
N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
N-[2-fluoro-4-[[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514333
1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-(furan-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 149122832
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168
4-[[3-fluoro-4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 71004494
N-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 67514330
1-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161161749
1-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)-3-fluorophenyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 89154425

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (CID 67515503) is N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5ccc(C)o5)cc4n3)c(F)c2)cc1.
What is the InChIKey of N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is XTCBOZKXKROWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN7O4/c1-18-3-10-27(43-18)20-15-26-28(33-17-20)30(39-11-13-42-14-12-39)38-29(37-26)24-9-8-23(16-25(24)32)36-31(41)35-22-6-4-21(5-7-22)34-19(2)40/h3-10,15-17H,11-14H2,1-2H3,(H,34,40)(H2,35,36,41).
What are the key properties of N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 581.61 g/mol, XLogP of 5.84, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 67515503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).