methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate

C16H16N6O3 — CID 58477140

IUPACmethyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C16H16N6O3/c1-24-15(23)12-4-3-11-13(18-12)14(21-7-9-25-10-8-21)20-16(19-11)22-6-2-5-17-22/h2-6H,7-10H2,1H3
InChIKeyOMWAVHZPKWVPHZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.83
Rot. Bonds3

About methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate

methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate (PubChem CID 58477140) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
PubChem CID58477140
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Namemethyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2n1
InChIInChI=1S/C16H16N6O3/c1-24-15(23)12-4-3-11-13(18-12)14(21-7-9-25-10-8-21)20-16(19-11)22-6-2-5-17-22/h2-6H,7-10H2,1H3
InChIKeyOMWAVHZPKWVPHZ-UHFFFAOYSA-N
XLogP0.83
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
CID 174691302
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol
CID 163836974
4-[2-(3-pyridin-2-ylpyrazol-1-yl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922650
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
CID 164595905
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135

Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate (CID 58477140) is methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate is COC(=O)c1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2n1.
What is the InChIKey of methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
The InChIKey is OMWAVHZPKWVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-24-15(23)12-4-3-11-13(18-12)14(21-7-9-25-10-8-21)20-16(19-11)22-6-2-5-17-22/h2-6H,7-10H2,1H3.
What are the key properties of methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate?
methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 58477140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).