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

C19H22FN7O2 — CID 146416173

IUPAC2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
SMILESCCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCN3C
InChIInChI=1S/C19H22FN7O2/c1-4-27-16(14(20)10(2)24-27)18(29)23-19-22-12-8-11(17(21)28)9-13-15(12)26(19)7-5-6-25(13)3/h8-9H,4-7H2,1-3H3,(H2,21,28)(H,22,23,29)
InChIKeyDVKVETQHJRNCMX-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.89
Rot. Bonds4

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

2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide (PubChem CID 146416173) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide.

Molecular Properties

Compound Name2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
PubChem CID146416173
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
SMILESCCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCN3C
InChIInChI=1S/C19H22FN7O2/c1-4-27-16(14(20)10(2)24-27)18(29)23-19-22-12-8-11(17(21)28)9-13-15(12)26(19)7-5-6-25(13)3/h8-9H,4-7H2,1-3H3,(H2,21,28)(H,22,23,29)
InChIKeyDVKVETQHJRNCMX-UHFFFAOYSA-N
XLogP1.89
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(11R)-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-(3-methoxypropyl)-11-methyl-11-(trifluoromethyl)-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
CID 146416277
2-[(4-ethenyl-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxamide
CID 156543717
11-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-6-methyl-2-oxa-6,10,12-triazatricyclo[8.6.1.013,17]heptadeca-1(16),11,13(17),14-tetraene-15-carboxamide
CID 155021049
1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-4,5-dimethylpyrazole-3-carbonyl)amino]-7-methylsulfanylbenzimidazol-1-yl]but-2-enyl]-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide
CID 164738884
N-(6-cyano-11,11-dimethyl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1-ethyl-4-fluoro-3-methylpyrazole-5-carboxamide
CID 163579234
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-9-(2-methoxyethyl)-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
CID 156543661
N-[5-carbamoyl-1-[(E)-4-[5-carbamoyl-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide;1-[(E)-4-[5-carboxy-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-7-methoxybenzimidazole-5-carboxylic acid
CID 165011384
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
(11S)-11-(3-aminopropyl)-2-[(4-ethenyl-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxamide
CID 146416179
2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-1-[(E)-4-[2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-5-carbamoyl-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-7-methoxybenzimidazole-5-carboxamide
CID 176944568
9-(3-hydroxypropyl)-2-(methylamino)-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxamide
CID 156543702
1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
CID 75537911

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The IUPAC name of 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide (CID 146416173) is 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide.
What is the SMILES notation for 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The canonical SMILES for 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide is CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCCN3C.
What is the InChIKey of 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
The InChIKey is DVKVETQHJRNCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-4-27-16(14(20)10(2)24-27)18(29)23-19-22-12-8-11(17(21)28)9-13-15(12)26(19)7-5-6-25(13)3/h8-9H,4-7H2,1-3H3,(H2,21,28)(H,22,23,29).
What are the key properties of 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide?
2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-fluoro-3-methylpyrazole-5-carbonyl)amino]-9-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide is sourced from PubChem (CID 146416173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).