1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C27H29N5O5 — CID 146205628

IUPAC1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccncc3CC[C@H]2C2CC2)C1=O
InChIInChI=1S/C27H29N5O5/c1-28-25(35)30-20-5-6-21-17(12-20)8-10-27(21)24(34)32(26(36)37-27)15-23(33)31-14-19-9-11-29-13-18(19)4-7-22(31)16-2-3-16/h5-6,9,11-13,16,22H,2-4,7-8,10,14-15H2,1H3,(H2,28,30,35)/t22-,27+/m0/s1
InChIKeyDBCMAPQJHUHFJH-WXVAWEFUSA-N
MW503.56 g/mol
LogP2.71
Rot. Bonds4

About 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 146205628) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID146205628
Molecular FormulaC27H29N5O5
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC Name1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccncc3CC[C@H]2C2CC2)C1=O
InChIInChI=1S/C27H29N5O5/c1-28-25(35)30-20-5-6-21-17(12-20)8-10-27(21)24(34)32(26(36)37-27)15-23(33)31-14-19-9-11-29-13-18(19)4-7-22(31)16-2-3-16/h5-6,9,11-13,16,22H,2-4,7-8,10,14-15H2,1H3,(H2,28,30,35)/t22-,27+/m0/s1
InChIKeyDBCMAPQJHUHFJH-WXVAWEFUSA-N
XLogP2.71
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The IUPAC name of 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 146205628) is 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.
What is the SMILES notation for 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The canonical SMILES for 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccncc3CC[C@H]2C2CC2)C1=O.
What is the InChIKey of 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is DBCMAPQJHUHFJH-WXVAWEFUSA-N. The full InChI is InChI=1S/C27H29N5O5/c1-28-25(35)30-20-5-6-21-17(12-20)8-10-27(21)24(34)32(26(36)37-27)15-23(33)31-14-19-9-11-29-13-18(19)4-7-22(31)16-2-3-16/h5-6,9,11-13,16,22H,2-4,7-8,10,14-15H2,1H3,(H2,28,30,35)/t22-,27+/m0/s1.
What are the key properties of 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 503.56 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3-[2-[(7S)-7-cyclopropyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 146205628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).