N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

C65H38N22O6 — CID 88848757

IUPACN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESN#Cc1ccn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3O)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ncccn4)c3O)c2)cc2ccccc12
InChIInChI=1S/C65H38N22O6/c66-31-39-18-24-85(64-70-20-9-21-71-64)58(39)82-79-52-45-14-4-1-11-36(45)25-48(55(52)88)61(91)76-42-28-43(77-62(92)49-26-37-12-2-5-15-46(37)53(56(49)89)80-83-59-40(32-67)34-74-86(59)51-17-7-8-19-69-51)30-44(29-42)78-63(93)50-27-38-13-3-6-16-47(38)54(57(50)90)81-84-60-41(33-68)35-75-87(60)65-72-22-10-23-73-65/h1-30,34-35,88-90H,(H,76,91)(H,77,92)(H,78,93)/b82-79+,83-80+,84-81+
InChIKeyPYRKATVCBPNYHM-CTIRTQPLSA-N
MW1223.17 g/mol
LogP13.02
Rot. Bonds15

About N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 88848757) has the molecular formula C65H38N22O6 and a molecular weight of 1223.17 g/mol. Its IUPAC name is N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID88848757
Molecular FormulaC65H38N22O6
Molecular Weight1223.17 g/mol
Exact Mass1222.33
IUPAC NameN-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESN#Cc1ccn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3O)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ncccn4)c3O)c2)cc2ccccc12
InChIInChI=1S/C65H38N22O6/c66-31-39-18-24-85(64-70-20-9-21-71-64)58(39)82-79-52-45-14-4-1-11-36(45)25-48(55(52)88)61(91)76-42-28-43(77-62(92)49-26-37-12-2-5-15-46(37)53(56(49)89)80-83-59-40(32-67)34-74-86(59)51-17-7-8-19-69-51)30-44(29-42)78-63(93)50-27-38-13-3-6-16-47(38)54(57(50)90)81-84-60-41(33-68)35-75-87(60)65-72-22-10-23-73-65/h1-30,34-35,88-90H,(H,76,91)(H,77,92)(H,78,93)/b82-79+,83-80+,84-81+
InChIKeyPYRKATVCBPNYHM-CTIRTQPLSA-N
XLogP13.02
TPSA398.54 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001223.17
LogP ≤ 513.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide 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 N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (CID 88848757) is N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is N#Cc1ccn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ccccn4)c3O)cc(NC(=O)c3cc4ccccc4c(/N=N/c4c(C#N)cnn4-c4ncccn4)c3O)c2)cc2ccccc12.
What is the InChIKey of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is PYRKATVCBPNYHM-CTIRTQPLSA-N. The full InChI is InChI=1S/C65H38N22O6/c66-31-39-18-24-85(64-70-20-9-21-71-64)58(39)82-79-52-45-14-4-1-11-36(45)25-48(55(52)88)61(91)76-42-28-43(77-62(92)49-26-37-12-2-5-15-46(37)53(56(49)89)80-83-59-40(32-67)34-74-86(59)51-17-7-8-19-69-51)30-44(29-42)78-63(93)50-27-38-13-3-6-16-47(38)54(57(50)90)81-84-60-41(33-68)35-75-87(60)65-72-22-10-23-73-65/h1-30,34-35,88-90H,(H,76,91)(H,77,92)(H,78,93)/b82-79+,83-80+,84-81+.
What are the key properties of N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 1223.17 g/mol, XLogP of 13.02, 15 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 88848757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).