(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone

C17H16N6O — CID 95828470

IUPAC(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C17H16N6O/c24-17(15-10-18-7-8-19-15)23-9-6-14-13(11-23)16(22-21-14)20-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H2,20,21,22)
InChIKeyIDWZMIKUNPWPSW-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.14
Rot. Bonds3

About (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone

(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone (PubChem CID 95828470) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
PubChem CID95828470
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C17H16N6O/c24-17(15-10-18-7-8-19-15)23-9-6-14-13(11-23)16(22-21-14)20-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H2,20,21,22)
InChIKeyIDWZMIKUNPWPSW-UHFFFAOYSA-N
XLogP2.14
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
CID 95828317
[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
CID 92573057
4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 62896264
tert-butyl 3-(3-methoxycarbonylanilino)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121365292
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53185286
[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 46994987
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412

Frequently Asked Questions

What is the IUPAC name of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone (CID 95828470) is (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCc2[nH]nc(Nc3ccccc3)c2C1.
What is the InChIKey of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone?
The InChIKey is IDWZMIKUNPWPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-17(15-10-18-7-8-19-15)23-9-6-14-13(11-23)16(22-21-14)20-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H2,20,21,22).
What are the key properties of (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone?
(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone has a molecular weight of 320.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 95828470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).