4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide

C24H23N9O3 — CID 159587221

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1OCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C24H23N9O3/c34-24(27-17-3-1-2-16-22(17)36-14-33-23(16)28-29-30-33)18-10-20(32-12-19(26-13-32)15-4-5-15)21(11-25-18)31-6-8-35-9-7-31/h1-3,10-13,15H,4-9,14H2,(H,27,34)
InChIKeyPWTKGPPOUBZJOQ-UHFFFAOYSA-N
MW485.51 g/mol
LogP2.24
Rot. Bonds5

About 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide (PubChem CID 159587221) has the molecular formula C24H23N9O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide
PubChem CID159587221
Molecular FormulaC24H23N9O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc2c1OCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C24H23N9O3/c34-24(27-17-3-1-2-16-22(17)36-14-33-23(16)28-29-30-33)18-10-20(32-12-19(26-13-32)15-4-5-15)21(11-25-18)31-6-8-35-9-7-31/h1-3,10-13,15H,4-9,14H2,(H,27,34)
InChIKeyPWTKGPPOUBZJOQ-UHFFFAOYSA-N
XLogP2.24
TPSA125.11 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-spiro[6H-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylpyridine-2-carboxamide
CID 139581294
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-spiro[6H-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylpyridine-2-carboxamide;methane
CID 158072200
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-[(6R)-6-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581353
4-(4-cyclopropylimidazol-1-yl)-N-(5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl)-5-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide;[[(hydrazinylidenehydrazinylidene)hydrazinylidene]hydrazinylidene]-hydroperoxy-oxidoazanium;molecular hydrogen;pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecayne
CID 159307553
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
N-[(5R)-5-cyclopropyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide
CID 139581271
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
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-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 153439774
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-[(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

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide?
The IUPAC name of 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) is 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide is O=C(Nc1cccc2c1OCn1nnnc1-2)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide?
The InChIKey is PWTKGPPOUBZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O3/c34-24(27-17-3-1-2-16-22(17)36-14-33-23(16)28-29-30-33)18-10-20(32-12-19(26-13-32)15-4-5-15)21(11-25-18)31-6-8-35-9-7-31/h1-3,10-13,15H,4-9,14H2,(H,27,34).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159587221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).