(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one

C19H24N4O3 — CID 139351333

IUPAC(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C(=O)CC[C@@]12CCN(C(=O)c1cnc3c(c1)OCCC1(CC1)N3)C2
InChIInChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyVBVPSRUUWNTMGI-IBGZPJMESA-N
MW356.43 g/mol
LogP1.65
Rot. Bonds1

About (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one

(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 139351333) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID139351333
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C(=O)CC[C@@]12CCN(C(=O)c1cnc3c(c1)OCCC1(CC1)N3)C2
InChIInChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyVBVPSRUUWNTMGI-IBGZPJMESA-N
XLogP1.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one (CID 139351333) is (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one is CN1C(=O)CC[C@@]12CCN(C(=O)c1cnc3c(c1)OCCC1(CC1)N3)C2.
What is the InChIKey of (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is VBVPSRUUWNTMGI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one?
(5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-7-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 139351333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).