2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide

C18H20N6O3 — CID 155456457

IUPAC2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCO3
InChIInChI=1S/C18H20N6O3/c1-3-12-11(9-23(2)22-12)17(26)21-18-20-13-7-10(16(19)25)8-14-15(13)24(18)5-4-6-27-14/h7-9H,3-6H2,1-2H3,(H2,19,25)(H,20,21,26)
InChIKeyUPIOTBJFWDJHMC-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.47
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide

2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide (PubChem CID 155456457) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
PubChem CID155456457
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCO3
InChIInChI=1S/C18H20N6O3/c1-3-12-11(9-23(2)22-12)17(26)21-18-20-13-7-10(16(19)25)8-14-15(13)24(18)5-4-6-27-14/h7-9H,3-6H2,1-2H3,(H2,19,25)(H,20,21,26)
InChIKeyUPIOTBJFWDJHMC-UHFFFAOYSA-N
XLogP1.47
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide (CID 155456457) is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide is CCc1nn(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCO3.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The InChIKey is UPIOTBJFWDJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-3-12-11(9-23(2)22-12)17(26)21-18-20-13-7-10(16(19)25)8-14-15(13)24(18)5-4-6-27-14/h7-9H,3-6H2,1-2H3,(H2,19,25)(H,20,21,26).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide is sourced from PubChem (CID 155456457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).