methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

C25H29N5O5 — CID 42171776

IUPACmethyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C25H29N5O5/c1-16(2)18-13-20(28(3)27-18)24(32)29-10-8-19-23(25(33)34-4)21(14-22(31)30(19)12-11-29)35-15-17-7-5-6-9-26-17/h5-7,9,13-14,16H,8,10-12,15H2,1-4H3
InChIKeyGGJQFMSJZZLCQV-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.16
Rot. Bonds6

About methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (PubChem CID 42171776) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
PubChem CID42171776
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Namemethyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)c1cc(C(C)C)nn1C)CC2
InChIInChI=1S/C25H29N5O5/c1-16(2)18-13-20(28(3)27-18)24(32)29-10-8-19-23(25(33)34-4)21(14-22(31)30(19)12-11-29)35-15-17-7-5-6-9-26-17/h5-7,9,13-14,16H,8,10-12,15H2,1-4H3
InChIKeyGGJQFMSJZZLCQV-UHFFFAOYSA-N
XLogP2.16
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The IUPAC name of methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (CID 42171776) is methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.
What is the SMILES notation for methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The canonical SMILES for methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)c1cc(C(C)C)nn1C)CC2.
What is the InChIKey of methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The InChIKey is GGJQFMSJZZLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-16(2)18-13-20(28(3)27-18)24(32)29-10-8-19-23(25(33)34-4)21(14-22(31)30(19)12-11-29)35-15-17-7-5-6-9-26-17/h5-7,9,13-14,16H,8,10-12,15H2,1-4H3.
What are the key properties of methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate has a molecular weight of 479.54 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is sourced from PubChem (CID 42171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).