4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide

C23H22N4O3 — CID 97442207

IUPAC4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NC[C@H]2CCCO2)c2ccccn23)cc1
InChIInChI=1S/C23H22N4O3/c1-29-16-9-7-15(8-10-16)21-20-19(23(28)24-13-17-5-4-12-30-17)18-6-2-3-11-27(18)22(20)26-14-25-21/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyXMIXCYBLCYBOKU-QGZVFWFLSA-N
MW402.45 g/mol
LogP3.47
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide (PubChem CID 97442207) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide
PubChem CID97442207
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide
SMILESCOc1ccc(-c2ncnc3c2c(C(=O)NC[C@H]2CCCO2)c2ccccn23)cc1
InChIInChI=1S/C23H22N4O3/c1-29-16-9-7-15(8-10-16)21-20-19(23(28)24-13-17-5-4-12-30-17)18-6-2-3-11-27(18)22(20)26-14-25-21/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyXMIXCYBLCYBOKU-QGZVFWFLSA-N
XLogP3.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-methoxyphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069504
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(4-methoxyphenyl)pyrimido[5,4-b]indolizin-5-yl]methanone
CID 97442217
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92877385
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
4-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135527075
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-en-2-yl]-4-methoxybenzamide
CID 41042761

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide (CID 97442207) is 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide is COc1ccc(-c2ncnc3c2c(C(=O)NC[C@H]2CCCO2)c2ccccn23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide?
The InChIKey is XMIXCYBLCYBOKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-16-9-7-15(8-10-16)21-20-19(23(28)24-13-17-5-4-12-30-17)18-6-2-3-11-27(18)22(20)26-14-25-21/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide?
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimido[5,4-b]indolizine-5-carboxamide is sourced from PubChem (CID 97442207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).