4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide

C29H26N8O3 — CID 153439774

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1OCC(COCc1ccccc1)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C29H26N8O3/c38-29(25-13-21(11-12-30-25)36-14-26(31-18-36)20-9-10-20)32-24-8-4-7-23-27(24)40-17-22(37-28(23)33-34-35-37)16-39-15-19-5-2-1-3-6-19/h1-8,11-14,18,20,22H,9-10,15-17H2,(H,32,38)
InChIKeyOJSZZFRNIJCUDF-UHFFFAOYSA-N
MW534.58 g/mol
LogP4.20
Rot. Bonds8

About 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide (PubChem CID 153439774) has the molecular formula C29H26N8O3 and a molecular weight of 534.58 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
PubChem CID153439774
Molecular FormulaC29H26N8O3
Molecular Weight534.58 g/mol
Exact Mass534.21
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1OCC(COCc1ccccc1)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C29H26N8O3/c38-29(25-13-21(11-12-30-25)36-14-26(31-18-36)20-9-10-20)32-24-8-4-7-23-27(24)40-17-22(37-28(23)33-34-35-37)16-39-15-19-5-2-1-3-6-19/h1-8,11-14,18,20,22H,9-10,15-17H2,(H,32,38)
InChIKeyOJSZZFRNIJCUDF-UHFFFAOYSA-N
XLogP4.20
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxamide
CID 153439763
4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581298
4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-(fluoromethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;(5R)-5-(fluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-amine
CID 158048710
4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 161018380
4-(4-cyclopropylimidazol-1-yl)-N-[(6R)-6-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581353
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(fluoromethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581355
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[(5S)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]benzamide;methane
CID 157263686
8-nitro-5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepine
CID 153353090
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide
CID 159587221
[8-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-5-yl]methyl hypobromite
CID 153353105
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581198
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58102989

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide (CID 153439774) is 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide is O=C(Nc1cccc2c1OCC(COCc1ccccc1)n1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The InChIKey is OJSZZFRNIJCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O3/c38-29(25-13-21(11-12-30-25)36-14-26(31-18-36)20-9-10-20)32-24-8-4-7-23-27(24)40-17-22(37-28(23)33-34-35-37)16-39-15-19-5-2-1-3-6-19/h1-8,11-14,18,20,22H,9-10,15-17H2,(H,32,38).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide has a molecular weight of 534.58 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 153439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).