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

C18H21N5O3 — CID 56869972

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-9-16(26-21-14)12-1-2-12)23-4-3-13-15(10-23)19-11-20-17(13)22-5-7-25-8-6-22/h9,11-12H,1-8,10H2
InChIKeyOSZGSNKJWUKZON-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.38
Rot. Bonds3

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

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 56869972) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID56869972
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C18H21N5O3/c24-18(14-9-16(26-21-14)12-1-2-12)23-4-3-13-15(10-23)19-11-20-17(13)22-5-7-25-8-6-22/h9,11-12H,1-8,10H2
InChIKeyOSZGSNKJWUKZON-UHFFFAOYSA-N
XLogP1.38
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71696038
2-[4-[2-Cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401411
(5-Methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812702
2-ethyl-7-(isoxazol-3-ylcarbonyl)-4-morpholin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56884937
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 71451535
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92423779
6-[(5-isopropylisoxazol-3-yl)carbonyl]-N-methyl-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72890578
7-[(3-Isobutylisoxazol-5-yl)carbonyl]-2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56863591
(5-Cyclopropylisoxazol-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631510
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265758
(5-Cyclopropylisoxazol-3-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122160237
(5-Cyclopropylisoxazol-3-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267575

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 56869972) is (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is OSZGSNKJWUKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-18(14-9-16(26-21-14)12-1-2-12)23-4-3-13-15(10-23)19-11-20-17(13)22-5-7-25-8-6-22/h9,11-12H,1-8,10H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 56869972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).