(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone

C17H18N6O — CID 66556102

IUPAC(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cnc4[nH]ccc4c3)n2)CC1
InChIInChI=1S/C17H18N6O/c1-22-4-6-23(7-5-22)17(24)15-11-18-10-14(21-15)13-8-12-2-3-19-16(12)20-9-13/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyYDJDNOFJTUFNPR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.41
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone (PubChem CID 66556102) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
PubChem CID66556102
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cnc4[nH]ccc4c3)n2)CC1
InChIInChI=1S/C17H18N6O/c1-22-4-6-23(7-5-22)17(24)15-11-18-10-14(21-15)13-8-12-2-3-19-16(12)20-9-13/h2-3,8-11H,4-7H2,1H3,(H,19,20)
InChIKeyYDJDNOFJTUFNPR-UHFFFAOYSA-N
XLogP1.41
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-isoquinolin-4-ylpiperazin-1-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone
CID 166336220
[6-[3-fluoro-4-(1-propan-2-ylimidazol-2-yl)phenyl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 165420698
(4-methylpiperazin-1-yl)-(6-naphthalen-1-ylpyrazin-2-yl)methanone
CID 119060088
[6-(2,3-dimethylphenyl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 50948310
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
(4-methylpiperazin-1-yl)-[3-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanone
CID 59592999
[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
CID 66555424
3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carbonyl]piperazin-2-one
CID 138046382
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122560717
5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 91030221

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone (CID 66556102) is (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone is CN1CCN(C(=O)c2cncc(-c3cnc4[nH]ccc4c3)n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone?
The InChIKey is YDJDNOFJTUFNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22-4-6-23(7-5-22)17(24)15-11-18-10-14(21-15)13-8-12-2-3-19-16(12)20-9-13/h2-3,8-11H,4-7H2,1H3,(H,19,20).
What are the key properties of (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 66556102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).