(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C19H23N5O3 — CID 70717992

IUPAC(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c25-19(17-14-3-1-2-4-16(14)27-22-17)24-6-5-13-15(11-24)20-12-21-18(13)23-7-9-26-10-8-23/h12H,1-11H2
InChIKeyAKNOIWBRIRAKRD-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.38
Rot. Bonds2

About (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 70717992) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID70717992
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c25-19(17-14-3-1-2-4-16(14)27-22-17)24-6-5-13-15(11-24)20-12-21-18(13)23-7-9-26-10-8-23/h12H,1-11H2
InChIKeyAKNOIWBRIRAKRD-UHFFFAOYSA-N
XLogP1.38
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone with MolForge

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Related Compounds

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 53192951
(4-(2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanone
CID 91817843
N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide
CID 92126036
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanone
CID 119100479
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanone
CID 122258499
(4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267618
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124891527
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124891528
3-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 145869044
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 145899879
[4-(6-Fluoropyrimidin-4-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 167929813
3-{[3-(5-Methyl-2-{[2-(4-morpholinyl)ethyl]thio}-4-pyrimidinyl)-1-piperidinyl]carbonyl}-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 45172347

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 70717992) is (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is O=C(c1noc2c1CCCC2)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is AKNOIWBRIRAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-19(17-14-3-1-2-4-16(14)27-22-17)24-6-5-13-15(11-24)20-12-21-18(13)23-7-9-26-10-8-23/h12H,1-11H2.
What are the key properties of (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 369.43 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 70717992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).