N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

C19H22ClFN6O2 — CID 145435129

IUPACN-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCNC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3
InChIInChI=1S/C19H22ClFN6O2/c1-22-12-8-25(2)18(28)17-13-10-26(6-5-16(13)24-27(17)9-12)19(29)23-11-3-4-15(21)14(20)7-11/h3-4,7,12,22H,5-6,8-10H2,1-2H3,(H,23,29)
InChIKeyPWABYJSEGYDOJV-UHFFFAOYSA-N
MW420.88 g/mol
LogP1.94
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (PubChem CID 145435129) has the molecular formula C19H22ClFN6O2 and a molecular weight of 420.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
PubChem CID145435129
Molecular FormulaC19H22ClFN6O2
Molecular Weight420.88 g/mol
Exact Mass420.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCNC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3
InChIInChI=1S/C19H22ClFN6O2/c1-22-12-8-25(2)18(28)17-13-10-26(6-5-16(13)24-27(17)9-12)19(29)23-11-3-4-15(21)14(20)7-11/h3-4,7,12,22H,5-6,8-10H2,1-2H3,(H,23,29)
InChIKeyPWABYJSEGYDOJV-UHFFFAOYSA-N
XLogP1.94
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide 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

N5-(3-chlorophenyl)-N3-methoxy-N3-methyl-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-3,5-dicarboxamide
CID 121435429
N5-(3-chlorophenyl)-N3-ethyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437168
N5-(3-chlorophenyl)-N3-isopropoxy-N3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437175
N5-(3-chlorophenyl)-N3-isopropyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437183
5-N-(3-chlorophenyl)-3-N-methyl-3-N-propoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445216
5-N-(3-chlorophenyl)-3-N-ethoxy-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121445217
(5R)-N-(3-cyano-4-fluorophenyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 141725214
(11S)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 141725387
(11R)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 141725414
(5S,11S)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434501
N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434651
(5R,11R)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434725

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (CID 145435129) is N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is CNC1CN(C)C(=O)c2c3c(nn2C1)CCN(C(=O)Nc1ccc(F)c(Cl)c1)C3.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The InChIKey is PWABYJSEGYDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O2/c1-22-12-8-25(2)18(28)17-13-10-26(6-5-16(13)24-27(17)9-12)19(29)23-11-3-4-15(21)14(20)7-11/h3-4,7,12,22H,5-6,8-10H2,1-2H3,(H,23,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-13-methyl-11-(methylamino)-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is sourced from PubChem (CID 145435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).