N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide

C33H42N6O4 — CID 174251659

IUPACN-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1Cc2c(ccc3c2OCC2CN(CC4CCC5(CC4)CN(c4ccccn4)C5)CCN32)C1=O
InChIInChI=1S/C33H42N6O4/c1-23(5-8-30(41)35-22-40)39-18-27-26(32(39)42)6-7-28-31(27)43-19-25-17-36(14-15-38(25)28)16-24-9-11-33(12-10-24)20-37(21-33)29-4-2-3-13-34-29/h2-4,6-7,13,22-25H,5,8-12,14-21H2,1H3,(H,35,40,41)
InChIKeyHTPJMESOMUFOIM-UHFFFAOYSA-N
MW586.74 g/mol
LogP3.06
Rot. Bonds8

About N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide

N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide (PubChem CID 174251659) has the molecular formula C33H42N6O4 and a molecular weight of 586.74 g/mol. Its IUPAC name is N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
PubChem CID174251659
Molecular FormulaC33H42N6O4
Molecular Weight586.74 g/mol
Exact Mass586.33
IUPAC NameN-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
SMILESCC(CCC(=O)NC=O)N1Cc2c(ccc3c2OCC2CN(CC4CCC5(CC4)CN(c4ccccn4)C5)CCN32)C1=O
InChIInChI=1S/C33H42N6O4/c1-23(5-8-30(41)35-22-40)39-18-27-26(32(39)42)6-7-28-31(27)43-19-25-17-36(14-15-38(25)28)16-24-9-11-33(12-10-24)20-37(21-33)29-4-2-3-13-34-29/h2-4,6-7,13,22-25H,5,8-12,14-21H2,1H3,(H,35,40,41)
InChIKeyHTPJMESOMUFOIM-UHFFFAOYSA-N
XLogP3.06
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-formyl-4-[5-[[1-[5-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)pyrimidin-2-yl]piperidin-4-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide
CID 170728587
(4S)-4-[5-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)-5-methoxyphenyl]piperidin-4-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-N-formylpentanamide
CID 170728595
12-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carbaldehyde
CID 170729126
3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170729398
(7R)-5-[[2-[3-methoxy-4-[(6S,8R)-8-methyl-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-13-(6-methylidene-2-oxopiperidin-3-yl)-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one
CID 170728289
(3R)-3-[(7S)-5-[[1-[4-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-3-methoxyphenyl]piperidin-4-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170728457
(3S)-3-[(7R)-5-[[1-[5-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenyl]piperidin-4-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170729129
(3S)-3-[(7R)-5-[[1-[5-fluoro-4-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenyl]piperidin-4-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170729702
benzene;5-[[7-(5-fluoro-2-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one;N-methyl-5-oxopentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
CID 170729746
(7R)-5-[[7-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]-3-methoxyphenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-13-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-14-one
CID 170729163
(3S)-3-[(7R)-5-acetyl-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170727166
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-formylpentanamide
CID 170624656

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?
The IUPAC name of N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide (CID 174251659) is N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?
The canonical SMILES for N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide is CC(CCC(=O)NC=O)N1Cc2c(ccc3c2OCC2CN(CC4CCC5(CC4)CN(c4ccccn4)C5)CCN32)C1=O.
What is the InChIKey of N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?
The InChIKey is HTPJMESOMUFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4/c1-23(5-8-30(41)35-22-40)39-18-27-26(32(39)42)6-7-28-31(27)43-19-25-17-36(14-15-38(25)28)16-24-9-11-33(12-10-24)20-37(21-33)29-4-2-3-13-34-29/h2-4,6-7,13,22-25H,5,8-12,14-21H2,1H3,(H,35,40,41).
What are the key properties of N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide?
N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide has a molecular weight of 586.74 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[14-oxo-5-[(2-pyridin-2-yl-2-azaspiro[3.5]nonan-7-yl)methyl]-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]pentanamide is sourced from PubChem (CID 174251659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).