6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one

C18H16N8O3 — CID 57498065

IUPAC6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)ccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C18H16N8O3/c27-18-11-4-3-10(7-13(11)23-25-18)19-17-14(26(28)29)5-6-15(21-17)20-16-8-12(22-24-16)9-1-2-9/h3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24)
InChIKeyYWFMRDVKDLIGKV-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.25
Rot. Bonds6

About 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one

6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one (PubChem CID 57498065) has the molecular formula C18H16N8O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
PubChem CID57498065
Molecular FormulaC18H16N8O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)ccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C18H16N8O3/c27-18-11-4-3-10(7-13(11)23-25-18)19-17-14(26(28)29)5-6-15(21-17)20-16-8-12(22-24-16)9-1-2-9/h3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24)
InChIKeyYWFMRDVKDLIGKV-UHFFFAOYSA-N
XLogP3.25
TPSA157.42 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one 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

6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
CID 57498063
6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 159655182
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitro-6-N-[(1S)-1-pyridin-2-ylethyl]pyridine-2,6-diamine
CID 69150109
3-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-nitrobenzene-1,3-diamine
CID 67478765
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
CID 58936121
5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
CID 58935844
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 58936102
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
CID 90711232
5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]-1,2-dihydroindazol-3-one
CID 58935898
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[1-(4-fluorophenyl)ethyl]-5-nitropyridine-2,6-diamine
CID 77294915
6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 10069570

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one (CID 57498065) is 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)ccc3[N+](=O)[O-])ccc12.
What is the InChIKey of 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is YWFMRDVKDLIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O3/c27-18-11-4-3-10(7-13(11)23-25-18)19-17-14(26(28)29)5-6-15(21-17)20-16-8-12(22-24-16)9-1-2-9/h3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24).
What are the key properties of 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one?
6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 392.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 57498065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).