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

C24H23N7O2 — CID 90409394

IUPAC5-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
SMILESNc1nn2cc3c(nc2c1C(=O)Nc1cnccc1-c1ccccc1)CCN(C1COC1)C3
InChIInChI=1S/C24H23N7O2/c25-22-21(24(32)28-20-10-26-8-6-18(20)15-4-2-1-3-5-15)23-27-19-7-9-30(17-13-33-14-17)11-16(19)12-31(23)29-22/h1-6,8,10,12,17H,7,9,11,13-14H2,(H2,25,29)(H,28,32)
InChIKeyCLHIVKQWFLHESH-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.38
Rot. Bonds4

About 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

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 (PubChem CID 90409394) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID90409394
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name5-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
SMILESNc1nn2cc3c(nc2c1C(=O)Nc1cnccc1-c1ccccc1)CCN(C1COC1)C3
InChIInChI=1S/C24H23N7O2/c25-22-21(24(32)28-20-10-26-8-6-18(20)15-4-2-1-3-5-15)23-27-19-7-9-30(17-13-33-14-17)11-16(19)12-31(23)29-22/h1-6,8,10,12,17H,7,9,11,13-14H2,(H2,25,29)(H,28,32)
InChIKeyCLHIVKQWFLHESH-UHFFFAOYSA-N
XLogP2.38
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[4-[(3S)-4-methylmorpholin-3-yl]phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200011
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-phenyl-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551581
2-amino-6-fluoro-N-[4-(2-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199118
2-amino-6-fluoro-N-[4-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199887
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[[3-[(2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]oxy]cyclohexane-1-carboxylic acid;2-amino-6-fluoro-N-(4-pyridin-3-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158416406
2-amino-6-fluoro-N-[4-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200159
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nn2cc3c(nc2c1C(=O)Nc1cnccc1-c1ccccc1)CCN(C1COC1)C3.
What is the InChIKey of 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?
The InChIKey is CLHIVKQWFLHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c25-22-21(24(32)28-20-10-26-8-6-18(20)15-4-2-1-3-5-15)23-27-19-7-9-30(17-13-33-14-17)11-16(19)12-31(23)29-22/h1-6,8,10,12,17H,7,9,11,13-14H2,(H2,25,29)(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 441.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90409394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).