4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide

C42H42F6N14O4 — CID 167596523

IUPAC4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide
SMILESNc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1N.Nc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1[N+](=O)[O-]
InChIInChI=1S/C21H20F3N7O3.C21H22F3N7O/c22-21(23,24)16(4-6-18(32)29-14-2-3-14)12-1-5-17(27-9-12)30-11-13(10-28-30)15-7-8-26-20(25)19(15)31(33)34;22-21(23,24)16(4-6-18(32)30-14-2-3-14)12-1-5-17(28-9-12)31-11-13(10-29-31)15-7-8-27-20(26)19(15)25/h1,5,7-11,14,16H,2-4,6H2,(H2,25,26)(H,29,32);1,5,7-11,14,16H,2-4,6,25H2,(H2,26,27)(H,30,32)
InChIKeyJDHYRAGAJDIKMT-UHFFFAOYSA-N
MW920.88 g/mol
LogP6.72
Rot. Bonds15

About 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide

4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide (PubChem CID 167596523) has the molecular formula C42H42F6N14O4 and a molecular weight of 920.88 g/mol. Its IUPAC name is 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide
PubChem CID167596523
Molecular FormulaC42H42F6N14O4
Molecular Weight920.88 g/mol
Exact Mass920.34
IUPAC Name4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide
SMILESNc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1N.Nc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1[N+](=O)[O-]
InChIInChI=1S/C21H20F3N7O3.C21H22F3N7O/c22-21(23,24)16(4-6-18(32)29-14-2-3-14)12-1-5-17(27-9-12)30-11-13(10-28-30)15-7-8-26-20(25)19(15)31(33)34;22-21(23,24)16(4-6-18(32)30-14-2-3-14)12-1-5-17(28-9-12)31-11-13(10-29-31)15-7-8-27-20(26)19(15)25/h1,5,7-11,14,16H,2-4,6H2,(H2,25,26)(H,29,32);1,5,7-11,14,16H,2-4,6,25H2,(H2,26,27)(H,30,32)
InChIKeyJDHYRAGAJDIKMT-UHFFFAOYSA-N
XLogP6.72
TPSA266.60 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.88
LogP ≤ 56.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide?
The IUPAC name of 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide (CID 167596523) is 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide.
What is the SMILES notation for 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide?
The canonical SMILES for 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide is Nc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1N.Nc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1[N+](=O)[O-].
What is the InChIKey of 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide?
The InChIKey is JDHYRAGAJDIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3.C21H22F3N7O/c22-21(23,24)16(4-6-18(32)29-14-2-3-14)12-1-5-17(27-9-12)30-11-13(10-28-30)15-7-8-26-20(25)19(15)31(33)34;22-21(23,24)16(4-6-18(32)30-14-2-3-14)12-1-5-17(28-9-12)31-11-13(10-29-31)15-7-8-27-20(26)19(15)25/h1,5,7-11,14,16H,2-4,6H2,(H2,25,26)(H,29,32);1,5,7-11,14,16H,2-4,6,25H2,(H2,26,27)(H,30,32).
What are the key properties of 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide?
4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide has a molecular weight of 920.88 g/mol, XLogP of 6.72, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-N-cyclopropyl-5,5,5-trifluoropentanamide;N-cyclopropyl-4-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 167596523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).