5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

C18H20N8O3 — CID 90409943

IUPAC5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C1COC1)C3
InChIInChI=1S/C18H20N8O3/c1-28-18-13(4-20-9-21-18)23-17(27)14-15(19)24-26-6-10-5-25(11-7-29-8-11)3-2-12(10)22-16(14)26/h4,6,9,11H,2-3,5,7-8H2,1H3,(H2,19,24)(H,23,27)
InChIKeyURPYLABXQVIOPA-UHFFFAOYSA-N
MW396.41 g/mol
LogP0.12
Rot. Bonds4

About 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 90409943) has the molecular formula C18H20N8O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
PubChem CID90409943
Molecular FormulaC18H20N8O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C1COC1)C3
InChIInChI=1S/C18H20N8O3/c1-28-18-13(4-20-9-21-18)23-17(27)14-15(19)24-26-6-10-5-25(11-7-29-8-11)3-2-12(10)22-16(14)26/h4,6,9,11H,2-3,5,7-8H2,1H3,(H2,19,24)(H,23,27)
InChIKeyURPYLABXQVIOPA-UHFFFAOYSA-N
XLogP0.12
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide with MolForge

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Related Compounds

5-amino-11-(oxetan-3-yl)-N-(4-phenyl-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 90409394
2-amino-6-fluoro-N-[4-[1-(oxetan-3-yl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199599
2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448275
2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169172215
5-amino-N-(4-cyclohexyloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
CID 129166497
2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl](313C)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118137342
2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200113
N-(4-methoxypyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71917832
2-amino-6-fluoro-N-[4-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200011
(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide
CID 131207179
2-amino-6-fluoro-N-[5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyridazin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 85472291
2-amino-6-fluoro-N-(5-methoxy-4-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90379972

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 90409943) is 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is COc1ncncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C1COC1)C3.
What is the InChIKey of 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The InChIKey is URPYLABXQVIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3/c1-28-18-13(4-20-9-21-18)23-17(27)14-15(19)24-26-6-10-5-25(11-7-29-8-11)3-2-12(10)22-16(14)26/h4,6,9,11H,2-3,5,7-8H2,1H3,(H2,19,24)(H,23,27).
What are the key properties of 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxypyrimidin-5-yl)-11-(oxetan-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 90409943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).