1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

C18H20N6O — CID 136565717

IUPAC1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(C)c3ncccc3C2)c2ncccc12
InChIInChI=1S/C18H20N6O/c1-13-15-6-4-8-20-18(15)24(21-13)12-16(25)23-10-9-22(2)17-14(11-23)5-3-7-19-17/h3-8H,9-12H2,1-2H3
InChIKeyPEMHYYRONQCRFQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.61
Rot. Bonds2

About 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (PubChem CID 136565717) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
PubChem CID136565717
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(C)c3ncccc3C2)c2ncccc12
InChIInChI=1S/C18H20N6O/c1-13-15-6-4-8-20-18(15)24(21-13)12-16(25)23-10-9-22(2)17-14(11-23)5-3-7-19-17/h3-8H,9-12H2,1-2H3
InChIKeyPEMHYYRONQCRFQ-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (CID 136565717) is 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is Cc1nn(CC(=O)N2CCN(C)c3ncccc3C2)c2ncccc12.
What is the InChIKey of 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The InChIKey is PEMHYYRONQCRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-15-6-4-8-20-18(15)24(21-13)12-16(25)23-10-9-22(2)17-14(11-23)5-3-7-19-17/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone has a molecular weight of 336.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 136565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).