[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

C20H26N6O3 — CID 72890578

IUPAC[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1cc(C(C)C)on1)CC2
InChIInChI=1S/C20H26N6O3/c1-12(2)16-10-15(24-29-16)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h10,12H,4-9,11H2,1-3H3,(H,21,22,23)
InChIKeyLSAHHZVPSXBOAY-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.06
Rot. Bonds4

About [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone

[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 72890578) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID72890578
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1cc(C(C)C)on1)CC2
InChIInChI=1S/C20H26N6O3/c1-12(2)16-10-15(24-29-16)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h10,12H,4-9,11H2,1-3H3,(H,21,22,23)
InChIKeyLSAHHZVPSXBOAY-UHFFFAOYSA-N
XLogP2.06
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
(5-Methyl-1,2-oxazol-3-yl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812702
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 71451535
(5-Tert-butyl-1,2-oxazol-3-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72125869
5-Isobutyl-1'-[(5-methylisoxazol-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840440
N-methyl-6-[(3-methylisoxazol-5-yl)methyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72906506
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 53185780
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91923177
7-[(3-Isobutylisoxazol-5-yl)carbonyl]-2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56863591
5-cyclopropyl-N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)isoxazole-3-carboxamide
CID 71797005
5-methyl-N-(2-(4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl)isoxazole-3-carboxamide
CID 71797104
(5-Cyclopropylisoxazol-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631510

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 72890578) is [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1cc(C(C)C)on1)CC2.
What is the InChIKey of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is LSAHHZVPSXBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-12(2)16-10-15(24-29-16)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h10,12H,4-9,11H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 398.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72890578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).