4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide

C21H20N6O2 — CID 97407151

IUPAC4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1c2c(N3CCOCC3)ncnc2n2ccccc12
InChIInChI=1S/C21H20N6O2/c28-21(23-13-15-4-3-6-22-12-15)17-16-5-1-2-7-27(16)20-18(17)19(24-14-25-20)26-8-10-29-11-9-26/h1-7,12,14H,8-11,13H2,(H,23,28)
InChIKeyAAYDOKSVZWPAEU-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.04
Rot. Bonds4

About 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide

4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide (PubChem CID 97407151) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
PubChem CID97407151
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1c2c(N3CCOCC3)ncnc2n2ccccc12
InChIInChI=1S/C21H20N6O2/c28-21(23-13-15-4-3-6-22-12-15)17-16-5-1-2-7-27(16)20-18(17)19(24-14-25-20)26-8-10-29-11-9-26/h1-7,12,14H,8-11,13H2,(H,23,28)
InChIKeyAAYDOKSVZWPAEU-UHFFFAOYSA-N
XLogP2.04
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide
CID 97442209
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide (CID 97407151) is 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide is O=C(NCc1cccnc1)c1c2c(N3CCOCC3)ncnc2n2ccccc12.
What is the InChIKey of 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
The InChIKey is AAYDOKSVZWPAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-21(23-13-15-4-3-6-22-12-15)17-16-5-1-2-7-27(16)20-18(17)19(24-14-25-20)26-8-10-29-11-9-26/h1-7,12,14H,8-11,13H2,(H,23,28).
What are the key properties of 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide?
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimido[5,4-b]indolizine-5-carboxamide is sourced from PubChem (CID 97407151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).