(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane

C53H77BrN14O4Sn — CID 158806567

IUPAC(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1ncco1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ncco3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O2.C17H21BrN6O.3C4H9.C3H2NO.CH4.Sn/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;3*1-3-4-2;1-2-5-3-4-1;;/h8-14H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3;3*1,3-4H2,2H3;1-2H;1H4;/t14-;12-;;;;;;/m11....../s1
InChIKeyIUDNUAMJZYVVAQ-SLBZUWQZSA-N
MW1172.91 g/mol
LogP11.12
Rot. Bonds17

About (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane

(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane (PubChem CID 158806567) has the molecular formula C53H77BrN14O4Sn and a molecular weight of 1172.91 g/mol. Its IUPAC name is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane.

Molecular Properties

Compound Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane
PubChem CID158806567
Molecular FormulaC53H77BrN14O4Sn
Molecular Weight1172.91 g/mol
Exact Mass1172.45
IUPAC Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1ncco1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ncco3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O2.C17H21BrN6O.3C4H9.C3H2NO.CH4.Sn/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;3*1-3-4-2;1-2-5-3-4-1;;/h8-14H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3;3*1,3-4H2,2H3;1-2H;1H4;/t14-;12-;;;;;;/m11....../s1
InChIKeyIUDNUAMJZYVVAQ-SLBZUWQZSA-N
XLogP11.12
TPSA186.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001172.91
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane with MolForge

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Launch Full Analysis

Related Compounds

(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
8-cyclobutyl-2-[2-(3,5-dichlorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-7H-pteridin-6-one
CID 67369748
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
8-cyclopropyl-7-ethyl-5-methyl-2-(2-pyrazin-2-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261320
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
7-ethyl-5-methyl-8-(oxan-4-yl)-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67261650
(7R)-7-ethyl-5-methyl-8-(oxetan-3-yl)-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 58405849
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777
1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 67261357
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane?
The IUPAC name of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane (CID 158806567) is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane.
What is the SMILES notation for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane?
The canonical SMILES for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane is C.CCCC[Sn](CCCC)(CCCC)c1ncco1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ncco3)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1.
What is the InChIKey of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane?
The InChIKey is IUDNUAMJZYVVAQ-SLBZUWQZSA-N. The full InChI is InChI=1S/C20H23N7O2.C17H21BrN6O.3C4H9.C3H2NO.CH4.Sn/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18;1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11;3*1-3-4-2;1-2-5-3-4-1;;/h8-14H,3-7H2,1-2H3;8-12H,3-7H2,1-2H3;3*1,3-4H2,2H3;1-2H;1H4;/t14-;12-;;;;;;/m11....../s1.
What are the key properties of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane?
(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane has a molecular weight of 1172.91 g/mol, XLogP of 11.12, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-oxazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;methane;tributyl(1,3-oxazol-2-yl)stannane is sourced from PubChem (CID 158806567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).