3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide

C25H25N7O2 — CID 130206360

IUPAC3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H25N7O2/c26-23-22(24(33)30-19-7-6-17-8-10-28-20(17)14-19)31-21(15-29-23)16-2-4-18(5-3-16)25(34)32-12-1-9-27-11-13-32/h2-8,10,14-15,27-28H,1,9,11-13H2,(H2,26,29)(H,30,33)
InChIKeyYFPBUQBWRYCEAV-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide (PubChem CID 130206360) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
PubChem CID130206360
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C25H25N7O2/c26-23-22(24(33)30-19-7-6-17-8-10-28-20(17)14-19)31-21(15-29-23)16-2-4-18(5-3-16)25(34)32-12-1-9-27-11-13-32/h2-8,10,14-15,27-28H,1,9,11-13H2,(H2,26,29)(H,30,33)
InChIKeyYFPBUQBWRYCEAV-UHFFFAOYSA-N
XLogP2.89
TPSA129.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-N-(1H-indol-6-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 59471623
3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
CID 162160099
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
5-[4-(piperazine-1-carbonyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501650
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 118227108
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
1,4-diazepan-1-yl(isoquinolin-6-yl)methanone
CID 110485142
N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524541
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
6-[[6-(diazonioamino)pyridine-3-carbonyl]amino]-1H-indole
CID 71700628

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide (CID 130206360) is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide?
The InChIKey is YFPBUQBWRYCEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c26-23-22(24(33)30-19-7-6-17-8-10-28-20(17)14-19)31-21(15-29-23)16-2-4-18(5-3-16)25(34)32-12-1-9-27-11-13-32/h2-8,10,14-15,27-28H,1,9,11-13H2,(H2,26,29)(H,30,33).
What are the key properties of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide?
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 130206360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).