CID 95794222

C25H26N4O4 — CID 95794222

IUPAC—
SMILESCOc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4cncc(O)c4)CC3)C1)c1cccn1-2
InChIInChI=1S/C25H26N4O4/c1-32-19-4-5-21-20(12-19)27-25(22-3-2-8-29(21)22)15-24(33-16-25)6-9-28(10-7-24)23(31)17-11-18(30)14-26-13-17/h2-5,8,11-14,27,30H,6-7,9-10,15-16H2,1H3/t25-/m0/s1
InChIKeyDSTROBHGNHEPAH-VWLOTQADSA-N
MW446.51 g/mol
LogP3.30
Rot. Bonds2

About CID 95794222

CID 95794222 (PubChem CID 95794222) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol.

Molecular Properties

Compound NameCID 95794222
PubChem CID95794222
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name—
SMILESCOc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4cncc(O)c4)CC3)C1)c1cccn1-2
InChIInChI=1S/C25H26N4O4/c1-32-19-4-5-21-20(12-19)27-25(22-3-2-8-29(21)22)15-24(33-16-25)6-9-28(10-7-24)23(31)17-11-18(30)14-26-13-17/h2-5,8,11-14,27,30H,6-7,9-10,15-16H2,1H3/t25-/m0/s1
InChIKeyDSTROBHGNHEPAH-VWLOTQADSA-N
XLogP3.30
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 110212601
CID 110212601
CID 95794206
CID 95794206
CID 110212622
CID 110212622
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
CID 110212532
CID 110212532
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
CID 110212525
CID 110212525
1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 70814273
CID 95794118
CID 95794118
CID 95794161
CID 95794161
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
CID 118714783
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114

Frequently Asked Questions

What is the IUPAC name of CID 95794222?
The IUPAC name of CID 95794222 (CID 95794222) is not available.
What is the SMILES notation for CID 95794222?
The canonical SMILES for CID 95794222 is COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4cncc(O)c4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 95794222?
The InChIKey is DSTROBHGNHEPAH-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-19-4-5-21-20(12-19)27-25(22-3-2-8-29(21)22)15-24(33-16-25)6-9-28(10-7-24)23(31)17-11-18(30)14-26-13-17/h2-5,8,11-14,27,30H,6-7,9-10,15-16H2,1H3/t25-/m0/s1.
What are the key properties of CID 95794222?
CID 95794222 has a molecular weight of 446.51 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95794222 is sourced from PubChem (CID 95794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).