7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

C23H33N5 — CID 139424700

IUPAC7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCc1nc2c(cc1[C@@H](C)CC1CCc3ccc(C(C)C)nc3NC1)NCCN2
InChIInChI=1S/C23H33N5/c1-14(2)20-8-7-18-6-5-17(13-26-22(18)28-20)11-15(3)19-12-21-23(27-16(19)4)25-10-9-24-21/h7-8,12,14-15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,27)(H,26,28)/t15-,17?/m0/s1
InChIKeyBJQUJBYSDHOFRC-MYJWUSKBSA-N
MW379.55 g/mol
LogP4.91
Rot. Bonds4

About 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (PubChem CID 139424700) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
PubChem CID139424700
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCc1nc2c(cc1[C@@H](C)CC1CCc3ccc(C(C)C)nc3NC1)NCCN2
InChIInChI=1S/C23H33N5/c1-14(2)20-8-7-18-6-5-17(13-26-22(18)28-20)11-15(3)19-12-21-23(27-16(19)4)25-10-9-24-21/h7-8,12,14-15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,27)(H,26,28)/t15-,17?/m0/s1
InChIKeyBJQUJBYSDHOFRC-MYJWUSKBSA-N
XLogP4.91
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine with MolForge

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Related Compounds

7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
CID 81136619
3-propan-2-yl-6-[2-(1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl)propyl]-5,6,7,8-tetrahydrocinnoline
CID 139516241
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
2-methyl-3-piperidin-4-yl-6-propan-2-ylpyridine
CID 139410159
ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
CID 142013132
2-propan-2-yl-7-[2-(1,2,3,4-tetrahydroquinolin-6-yl)propyl]quinoline
CID 138657133
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
9-hydroxy-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;triiodovanadium
CID 161251909
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The IUPAC name of 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (CID 139424700) is 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.
What is the SMILES notation for 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The canonical SMILES for 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is Cc1nc2c(cc1[C@@H](C)CC1CCc3ccc(C(C)C)nc3NC1)NCCN2.
What is the InChIKey of 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The InChIKey is BJQUJBYSDHOFRC-MYJWUSKBSA-N. The full InChI is InChI=1S/C23H33N5/c1-14(2)20-8-7-18-6-5-17(13-26-22(18)28-20)11-15(3)19-12-21-23(27-16(19)4)25-10-9-24-21/h7-8,12,14-15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,27)(H,26,28)/t15-,17?/m0/s1.
What are the key properties of 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine has a molecular weight of 379.55 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is sourced from PubChem (CID 139424700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).