5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C24H33N7O — CID 155001845

IUPAC5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESC=C(NCC)c1ccc2c(n1)N(C(=O)Nc1cncc(CC[C@H](C)CC)n1)C1CCN2C1
InChIInChI=1S/C24H33N7O/c1-5-16(3)7-8-18-13-25-14-22(27-18)29-24(32)31-19-11-12-30(15-19)21-10-9-20(28-23(21)31)17(4)26-6-2/h9-10,13-14,16,19,26H,4-8,11-12,15H2,1-3H3,(H,27,29,32)/t16-,19?/m1/s1
InChIKeySMWBWKLZVUHBIB-VTBWFHPJSA-N
MW435.58 g/mol
LogP4.06
Rot. Bonds8

About 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 155001845) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound Name5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID155001845
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESC=C(NCC)c1ccc2c(n1)N(C(=O)Nc1cncc(CC[C@H](C)CC)n1)C1CCN2C1
InChIInChI=1S/C24H33N7O/c1-5-16(3)7-8-18-13-25-14-22(27-18)29-24(32)31-19-11-12-30(15-19)21-10-9-20(28-23(21)31)17(4)26-6-2/h9-10,13-14,16,19,26H,4-8,11-12,15H2,1-3H3,(H,27,29,32)/t16-,19?/m1/s1
InChIKeySMWBWKLZVUHBIB-VTBWFHPJSA-N
XLogP4.06
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide with MolForge

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Related Compounds

5-N-ethyl-8-N-(1,2-thiazol-3-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 145084161
(9S)-5-(6-ethyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118107090
(9S)-5-N-[(2S)-1-hydroxypropan-2-yl]-8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358097
(9S)-8-N-(4-bromo-2-pyridinyl)-5-N-propan-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 145084201
8-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358083
(9S)-5-(2-methyl-4-pyridinyl)-N-(6-propan-2-ylpyrazin-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118106992
methyl 2-[[8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carbonyl]amino]acetate;2-[[8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carbonyl]amino]acetic acid
CID 145084366
5-acetyl-N-(4-bromo-2-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 121357981
5-N-ethyl-8-N-[4-[methylsulfanyl(methylsulfonyl)amino]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 155001447
(9S)-5-(4-hydroxy-5-methoxypentanoyl)-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 159682273
(9S)-5-N-methyl-8-N-pyridin-2-yl-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 121358144
(9R)-5-[2-(methylamino)-4-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 163685224

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 155001845) is 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is C=C(NCC)c1ccc2c(n1)N(C(=O)Nc1cncc(CC[C@H](C)CC)n1)C1CCN2C1.
What is the InChIKey of 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is SMWBWKLZVUHBIB-VTBWFHPJSA-N. The full InChI is InChI=1S/C24H33N7O/c1-5-16(3)7-8-18-13-25-14-22(27-18)29-24(32)31-19-11-12-30(15-19)21-10-9-20(28-23(21)31)17(4)26-6-2/h9-10,13-14,16,19,26H,4-8,11-12,15H2,1-3H3,(H,27,29,32)/t16-,19?/m1/s1.
What are the key properties of 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 435.58 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethenyl]-N-[6-[(3R)-3-methylpentyl]pyrazin-2-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 155001845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).