(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C18H18N4O — CID 157016172

IUPAC(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESCn1ncc2ncc(C(=O)N3CCCc4ccccc4C3)cc21
InChIInChI=1S/C18H18N4O/c1-21-17-9-15(10-19-16(17)11-20-21)18(23)22-8-4-7-13-5-2-3-6-14(13)12-22/h2-3,5-6,9-11H,4,7-8,12H2,1H3
InChIKeyNEXDSGKOTFBJLL-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds1

About (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 157016172) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID157016172
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESCn1ncc2ncc(C(=O)N3CCCc4ccccc4C3)cc21
InChIInChI=1S/C18H18N4O/c1-21-17-9-15(10-19-16(17)11-20-21)18(23)22-8-4-7-13-5-2-3-6-14(13)12-22/h2-3,5-6,9-11H,4,7-8,12H2,1H3
InChIKeyNEXDSGKOTFBJLL-UHFFFAOYSA-N
XLogP2.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone with MolForge

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Related Compounds

(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528
5-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 157012422
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 157018438
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 157013026
N-benzyl-N-methyl-1-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 162627940
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
(3-bromo-4-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 103707366
2-(quinoline-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580054
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
(3-hydroxy-4-iodophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104628330

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 157016172) is (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is Cn1ncc2ncc(C(=O)N3CCCc4ccccc4C3)cc21.
What is the InChIKey of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is NEXDSGKOTFBJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-17-9-15(10-19-16(17)11-20-21)18(23)22-8-4-7-13-5-2-3-6-14(13)12-22/h2-3,5-6,9-11H,4,7-8,12H2,1H3.
What are the key properties of (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazolo[4,5-b]pyridin-6-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 157016172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).