(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate

C25H21N7O3 — CID 70109109

IUPAC(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate
SMILESCc1cc2nnc(OC(=O)N[C@@H]3N=C(c4ccccc4)c4cccc5c4N(CC5)C3=O)c(C)n2n1
InChIInChI=1S/C25H21N7O3/c1-14-13-19-28-29-23(15(2)32(19)30-14)35-25(34)27-22-24(33)31-12-11-17-9-6-10-18(21(17)31)20(26-22)16-7-4-3-5-8-16/h3-10,13,22H,11-12H2,1-2H3,(H,27,34)/t22-/m0/s1
InChIKeyWDXKYYGBOMFUIQ-QFIPXVFZSA-N
MW467.49 g/mol
LogP2.60
Rot. Bonds3

About (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate

(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate (PubChem CID 70109109) has the molecular formula C25H21N7O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate.

Molecular Properties

Compound Name(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate
PubChem CID70109109
Molecular FormulaC25H21N7O3
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC Name(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate
SMILESCc1cc2nnc(OC(=O)N[C@@H]3N=C(c4ccccc4)c4cccc5c4N(CC5)C3=O)c(C)n2n1
InChIInChI=1S/C25H21N7O3/c1-14-13-19-28-29-23(15(2)32(19)30-14)35-25(34)27-22-24(33)31-12-11-17-9-6-10-18(21(17)31)20(26-22)16-7-4-3-5-8-16/h3-10,13,22H,11-12H2,1-2H3,(H,27,34)/t22-/m0/s1
InChIKeyWDXKYYGBOMFUIQ-QFIPXVFZSA-N
XLogP2.60
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate?
The IUPAC name of (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate (CID 70109109) is (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate.
What is the SMILES notation for (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate?
The canonical SMILES for (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate is Cc1cc2nnc(OC(=O)N[C@@H]3N=C(c4ccccc4)c4cccc5c4N(CC5)C3=O)c(C)n2n1.
What is the InChIKey of (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate?
The InChIKey is WDXKYYGBOMFUIQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21N7O3/c1-14-13-19-28-29-23(15(2)32(19)30-14)35-25(34)27-22-24(33)31-12-11-17-9-6-10-18(21(17)31)20(26-22)16-7-4-3-5-8-16/h3-10,13,22H,11-12H2,1-2H3,(H,27,34)/t22-/m0/s1.
What are the key properties of (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate?
(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate has a molecular weight of 467.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl) N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]carbamate is sourced from PubChem (CID 70109109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).