N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide

C26H18ClFN4O2 — CID 101001865

IUPACN-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1N=C(c2ccccc2F)c2cc(Cl)cc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H18ClFN4O2/c27-16-11-15-9-10-32-23(15)18(13-16)22(17-6-2-3-7-19(17)28)30-24(26(32)34)31-25(33)21-12-14-5-1-4-8-20(14)29-21/h1-8,11-13,24,29H,9-10H2,(H,31,33)/t24-/m0/s1
InChIKeyJWORSWLPPNYFJH-DEOSSOPVSA-N
MW472.91 g/mol
LogP4.46
Rot. Bonds3

About N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide

N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide (PubChem CID 101001865) has the molecular formula C26H18ClFN4O2 and a molecular weight of 472.91 g/mol. Its IUPAC name is N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
PubChem CID101001865
Molecular FormulaC26H18ClFN4O2
Molecular Weight472.91 g/mol
Exact Mass472.11
IUPAC NameN-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1N=C(c2ccccc2F)c2cc(Cl)cc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H18ClFN4O2/c27-16-11-15-9-10-32-23(15)18(13-16)22(17-6-2-3-7-19(17)28)30-24(26(32)34)31-25(33)21-12-14-5-1-4-8-20(14)29-21/h1-8,11-13,24,29H,9-10H2,(H,31,33)/t24-/m0/s1
InChIKeyJWORSWLPPNYFJH-DEOSSOPVSA-N
XLogP4.46
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.91
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide (CID 101001865) is N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1N=C(c2ccccc2F)c2cc(Cl)cc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide?
The InChIKey is JWORSWLPPNYFJH-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H18ClFN4O2/c27-16-11-15-9-10-32-23(15)18(13-16)22(17-6-2-3-7-19(17)28)30-24(26(32)34)31-25(33)21-12-14-5-1-4-8-20(14)29-21/h1-8,11-13,24,29H,9-10H2,(H,31,33)/t24-/m0/s1.
What are the key properties of N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide?
N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide has a molecular weight of 472.91 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(11R)-6-chloro-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 101001865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).