2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide

C25H25N7O2 — CID 24760460

IUPAC2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide
SMILESCN1CCN(C(=O)c2ccc(Nc3cncc(-c4cc5cc(C(N)=O)ccc5[nH]4)n3)cc2)CC1
InChIInChI=1S/C25H25N7O2/c1-31-8-10-32(11-9-31)25(34)16-2-5-19(6-3-16)28-23-15-27-14-22(30-23)21-13-18-12-17(24(26)33)4-7-20(18)29-21/h2-7,12-15,29H,8-11H2,1H3,(H2,26,33)(H,28,30)
InChIKeyGMDXKZWRGGYIIL-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.86
Rot. Bonds5

About 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide

2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide (PubChem CID 24760460) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide
PubChem CID24760460
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide
SMILESCN1CCN(C(=O)c2ccc(Nc3cncc(-c4cc5cc(C(N)=O)ccc5[nH]4)n3)cc2)CC1
InChIInChI=1S/C25H25N7O2/c1-31-8-10-32(11-9-31)25(34)16-2-5-19(6-3-16)28-23-15-27-14-22(30-23)21-13-18-12-17(24(26)33)4-7-20(18)29-21/h2-7,12-15,29H,8-11H2,1H3,(H2,26,33)(H,28,30)
InChIKeyGMDXKZWRGGYIIL-UHFFFAOYSA-N
XLogP2.86
TPSA120.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[4-[(2-chloro-6-methylpyrimidin-4-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 108776754
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
[4-(4-anilinopyrimidin-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117085240
methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
CID 108776741
N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[4-[(5-bromo-4-methylpyrimidin-2-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 143387714
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide (CID 24760460) is 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide is CN1CCN(C(=O)c2ccc(Nc3cncc(-c4cc5cc(C(N)=O)ccc5[nH]4)n3)cc2)CC1.
What is the InChIKey of 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide?
The InChIKey is GMDXKZWRGGYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-31-8-10-32(11-9-31)25(34)16-2-5-19(6-3-16)28-23-15-27-14-22(30-23)21-13-18-12-17(24(26)33)4-7-20(18)29-21/h2-7,12-15,29H,8-11H2,1H3,(H2,26,33)(H,28,30).
What are the key properties of 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide?
2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 24760460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).