8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C20H24N6 — CID 97469171

IUPAC8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C20H24N6/c1-16-5-6-19-15-25(13-18-11-22-24(2)12-18)8-9-26(20(19)23-16)14-17-4-3-7-21-10-17/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeyIGQHELWNKGIEAD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.54
Rot. Bonds4

About 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469171) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469171
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C20H24N6/c1-16-5-6-19-15-25(13-18-11-22-24(2)12-18)8-9-26(20(19)23-16)14-17-4-3-7-21-10-17/h3-7,10-12H,8-9,13-15H2,1-2H3
InChIKeyIGQHELWNKGIEAD-UHFFFAOYSA-N
XLogP2.54
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469171) is 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(Cc1cccnc1)CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is IGQHELWNKGIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-5-6-19-15-25(13-18-11-22-24(2)12-18)8-9-26(20(19)23-16)14-17-4-3-7-21-10-17/h3-7,10-12H,8-9,13-15H2,1-2H3.
What are the key properties of 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 348.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).