1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C39H44N14O — CID 157167817

About 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 157167817) has the molecular formula C39H44N14O and a molecular weight of 724.88 g/mol. Its IUPAC name is 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

• Compound Name: 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
• PubChem CID: 157167817
• Molecular Formula: C39H44N14O
• Molecular Weight: 724.88 g/mol
• Exact Mass: 724.38
• IUPAC Name: 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
• SMILES: Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccn(C)n2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N[C@H]2CCN3C2)ccn1.Cn1ccc(N)n1
• InChI: InChI=1S/C20H21N7O.C15H16N4.C4H7N3/c1-13-11-14(5-8-21-13)16-3-4-17-19(22-16)27(15-6-10-26(17)12-15)20(28)23-18-7-9-25(2)24-18;1-10-8-11(4-6-16-10)13-2-3-14-15(18-13)17-12-5-7-19(14)9-12;1-7-3-2-4(5)6-7/h3-5,7-9,11,15H,6,10,12H2,1-2H3,(H,23,24,28);2-4,6,8,12H,5,7,9H2,1H3,(H,17,18);2-3H,1H3,(H2,5,6)/t15-;12-;/m00./s1
• InChIKey: ANCUXCVYKWPBGC-MNHBYHHDSA-N
• XLogP: 5.27
• TPSA: 164.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	724.88
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The IUPAC name of 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 157167817) is 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

What is the SMILES notation for 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The canonical SMILES for 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccn(C)n2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N[C@H]2CCN3C2)ccn1.Cn1ccc(N)n1.

What is the InChIKey of 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The InChIKey is ANCUXCVYKWPBGC-MNHBYHHDSA-N. The full InChI is InChI=1S/C20H21N7O.C15H16N4.C4H7N3/c1-13-11-14(5-8-21-13)16-3-4-17-19(22-16)27(15-6-10-26(17)12-15)20(28)23-18-7-9-25(2)24-18;1-10-8-11(4-6-16-10)13-2-3-14-15(18-13)17-12-5-7-19(14)9-12;1-7-3-2-4(5)6-7/h3-5,7-9,11,15H,6,10,12H2,1-2H3,(H,23,24,28);2-4,6,8,12H,5,7,9H2,1H3,(H,17,18);2-3H,1H3,(H2,5,6)/t15-;12-;/m00./s1.

What are the key properties of 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 724.88 g/mol, XLogP of 5.27, 3 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylpyrazol-3-amine;(9S)-N-(1-methylpyrazol-3-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 157167817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).