N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C70H82N12O7 — CID 158234941

IUPACN-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(CC(C)C)NC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(NC(=O)c3cccc4c3OCCNC4)C3CC3)ncc12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCOCC3)ncc12
InChIInChI=1S/C24H30N4O2.C23H26N4O3.C23H26N4O2/c1-16(2)13-24(4,23-26-15-20-17(3)7-6-11-28(20)23)27-22(29)19-9-5-8-18-14-25-10-12-30-21(18)19;1-16-4-3-10-27-19(16)15-25-22(27)23(7-11-29-12-8-23)26-21(28)18-6-2-5-17-14-24-9-13-30-20(17)18;1-15-5-4-11-27-19(15)14-25-22(27)23(2,17-8-9-17)26-21(28)18-7-3-6-16-13-24-10-12-29-20(16)18/h5-9,11,15-16,25H,10,12-14H2,1-4H3,(H,27,29);2-6,10,15,24H,7-9,11-14H2,1H3,(H,26,28);3-7,11,14,17,24H,8-10,12-13H2,1-2H3,(H,26,28)
InChIKeyGEVPEUWEBIQRDB-UHFFFAOYSA-N
MW1203.50 g/mol
LogP9.56
Rot. Bonds12

About N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 158234941) has the molecular formula C70H82N12O7 and a molecular weight of 1203.50 g/mol. Its IUPAC name is N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID158234941
Molecular FormulaC70H82N12O7
Molecular Weight1203.50 g/mol
Exact Mass1202.64
IUPAC NameN-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(CC(C)C)NC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(NC(=O)c3cccc4c3OCCNC4)C3CC3)ncc12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCOCC3)ncc12
InChIInChI=1S/C24H30N4O2.C23H26N4O3.C23H26N4O2/c1-16(2)13-24(4,23-26-15-20-17(3)7-6-11-28(20)23)27-22(29)19-9-5-8-18-14-25-10-12-30-21(18)19;1-16-4-3-10-27-19(16)15-25-22(27)23(7-11-29-12-8-23)26-21(28)18-6-2-5-17-14-24-9-13-30-20(17)18;1-15-5-4-11-27-19(15)14-25-22(27)23(2,17-8-9-17)26-21(28)18-7-3-6-16-13-24-10-12-29-20(16)18/h5-9,11,15-16,25H,10,12-14H2,1-4H3,(H,27,29);2-6,10,15,24H,7-9,11-14H2,1H3,(H,26,28);3-7,11,14,17,24H,8-10,12-13H2,1-2H3,(H,26,28)
InChIKeyGEVPEUWEBIQRDB-UHFFFAOYSA-N
XLogP9.56
TPSA212.21 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001203.50
LogP ≤ 59.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide with MolForge

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Related Compounds

US10183940, Example 63
CID 121339297
US10183940, Example 59
CID 121339299
US10183940, Example 61
CID 121339301
US10183940, Example 52
CID 121339609
US10183940, Example 50
CID 121339663
US10183940, Example 47
CID 121339146
US10183940, Example 70
CID 121339163
US10183940, Example 49
CID 121339168
US10183940, Example 69
CID 121339171
US10183940, Example 60
CID 121339289
US10183940, Example 62
CID 121339293
US10183940, Example 13
CID 121339306

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 158234941) is N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cccn2c(C(C)(CC(C)C)NC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(NC(=O)c3cccc4c3OCCNC4)C3CC3)ncc12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCOCC3)ncc12.
What is the InChIKey of N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is GEVPEUWEBIQRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C23H26N4O3.C23H26N4O2/c1-16(2)13-24(4,23-26-15-20-17(3)7-6-11-28(20)23)27-22(29)19-9-5-8-18-14-25-10-12-30-21(18)19;1-16-4-3-10-27-19(16)15-25-22(27)23(7-11-29-12-8-23)26-21(28)18-6-2-5-17-14-24-9-13-30-20(17)18;1-15-5-4-11-27-19(15)14-25-22(27)23(2,17-8-9-17)26-21(28)18-7-3-6-16-13-24-10-12-29-20(16)18/h5-9,11,15-16,25H,10,12-14H2,1-4H3,(H,27,29);2-6,10,15,24H,7-9,11-14H2,1H3,(H,26,28);3-7,11,14,17,24H,8-10,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 1203.50 g/mol, XLogP of 9.56, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[4-methyl-2-(8-methylimidazo[1,5-a]pyridin-3-yl)pentan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 158234941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).