CID 175896370

C23H25LiN5O3 — CID 175896370

IUPAC—
SMILESCc1cccc(-c2cc(Nc3ccncc3)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1.[Li]
InChIInChI=1S/C23H25N5O3.Li/c1-15-6-5-7-17(25-15)18-14-19(26-16-8-10-24-11-9-16)20-21(27-18)28(12-13-30-20)22(29)31-23(2,3)4;/h5-11,14H,12-13H2,1-4H3,(H,24,26,27);
InChIKeyRIUGLTZCWQMXJJ-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.34
Rot. Bonds3

About CID 175896370

CID 175896370 (PubChem CID 175896370) has the molecular formula C23H25LiN5O3 and a molecular weight of 426.43 g/mol.

Molecular Properties

Compound NameCID 175896370
PubChem CID175896370
Molecular FormulaC23H25LiN5O3
Molecular Weight426.43 g/mol
Exact Mass426.21
IUPAC Name—
SMILESCc1cccc(-c2cc(Nc3ccncc3)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1.[Li]
InChIInChI=1S/C23H25N5O3.Li/c1-15-6-5-7-17(25-15)18-14-19(26-16-8-10-24-11-9-16)20-21(27-18)28(12-13-30-20)22(29)31-23(2,3)4;/h5-11,14H,12-13H2,1-4H3,(H,24,26,27);
InChIKeyRIUGLTZCWQMXJJ-UHFFFAOYSA-N
XLogP4.34
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 6-(6-methyl-2-pyridinyl)-8-[[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-yl]amino]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 162441562
8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
CID 174224343
tert-butyl 2,4-dichloro-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
CID 142478107
tert-butyl 8-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylphenoxy]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 155586217
tert-butyl 8-[5-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-pyridinyl]-6-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 164546069
tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 59665455
tert-butyl 8-bromo-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 83773515
tert-butyl 8-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 156832114
tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 172993096
tert-butyl 6-[[5-amino-2-(3-methylbenzoyl)-1,2,4-triazol-3-yl]amino]-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 67094212
tert-butyl 6-amino-8-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 59261180
tert-butyl 7-iodo-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 46737977

Frequently Asked Questions

What is the IUPAC name of CID 175896370?
The IUPAC name of CID 175896370 (CID 175896370) is not available.
What is the SMILES notation for CID 175896370?
The canonical SMILES for CID 175896370 is Cc1cccc(-c2cc(Nc3ccncc3)c3c(n2)N(C(=O)OC(C)(C)C)CCO3)n1.[Li].
What is the InChIKey of CID 175896370?
The InChIKey is RIUGLTZCWQMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.Li/c1-15-6-5-7-17(25-15)18-14-19(26-16-8-10-24-11-9-16)20-21(27-18)28(12-13-30-20)22(29)31-23(2,3)4;/h5-11,14H,12-13H2,1-4H3,(H,24,26,27);.
What are the key properties of CID 175896370?
CID 175896370 has a molecular weight of 426.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175896370 is sourced from PubChem (CID 175896370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).