4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol

C29H32N4O — CID 58524549

IUPAC4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)CCc1ncc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1
InChIInChI=1S/C29H32N4O/c1-28(2,19-34)16-13-25-31-18-22-17-24(20-7-4-3-5-8-20)26(33-27(22)32-25)21-9-11-23(12-10-21)29(30)14-6-15-29/h3-5,7-12,17-18,34H,6,13-16,19,30H2,1-2H3
InChIKeyGGBRTQICEPSWQC-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.65
Rot. Bonds7

About 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol

4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol (PubChem CID 58524549) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
PubChem CID58524549
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC Name4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)CCc1ncc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1
InChIInChI=1S/C29H32N4O/c1-28(2,19-34)16-13-25-31-18-22-17-24(20-7-4-3-5-8-20)26(33-27(22)32-25)21-9-11-23(12-10-21)29(30)14-6-15-29/h3-5,7-12,17-18,34H,6,13-16,19,30H2,1-2H3
InChIKeyGGBRTQICEPSWQC-UHFFFAOYSA-N
XLogP5.65
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol with MolForge

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Related Compounds

4-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]butan-1-ol
CID 67002267
1-[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 173038104
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
CID 174663749
2-[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]propan-2-ol
CID 90858156
1-[7-[4-[6-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]-1-(cyclobutylamino)-1-hydroxyhexyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
CID 90843866
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-8H-pyrano[3,4-b]pyridin-5-one
CID 53261732
[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-3-ium-2-yl]piperazin-1-yl]-phenylmethanone
CID 123732959
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
[4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 56644560
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
[4-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylazanium
CID 58524836
2-[6-[4-(1-aminocyclobutyl)phenyl]-2,2-dihydroxy-7-phenylpyrido[3,2-e][1,3,4]oxathiazin-1-yl]acetonitrile
CID 87326575

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol?
The IUPAC name of 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol (CID 58524549) is 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol?
The canonical SMILES for 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol is CC(C)(CO)CCc1ncc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1.
What is the InChIKey of 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol?
The InChIKey is GGBRTQICEPSWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c1-28(2,19-34)16-13-25-31-18-22-17-24(20-7-4-3-5-8-20)26(33-27(22)32-25)21-9-11-23(12-10-21)29(30)14-6-15-29/h3-5,7-12,17-18,34H,6,13-16,19,30H2,1-2H3.
What are the key properties of 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol?
4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol has a molecular weight of 452.60 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 58524549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).