N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide

C23H22FN5O — CID 90096225

IUPACN-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)NCCCN)c2)ccc1F
InChIInChI=1S/C23H22FN5O/c1-15-12-17(5-7-20(15)24)22-19(4-2-10-26-22)16-6-8-21-18(13-16)14-28-29(21)23(30)27-11-3-9-25/h2,4-8,10,12-14H,3,9,11,25H2,1H3,(H,27,30)
InChIKeyTWBVHUWBUYDXNE-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.12
Rot. Bonds5

About N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide

N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide (PubChem CID 90096225) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide
PubChem CID90096225
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)NCCCN)c2)ccc1F
InChIInChI=1S/C23H22FN5O/c1-15-12-17(5-7-20(15)24)22-19(4-2-10-26-22)16-6-8-21-18(13-16)14-28-29(21)23(30)27-11-3-9-25/h2,4-8,10,12-14H,3,9,11,25H2,1H3,(H,27,30)
InChIKeyTWBVHUWBUYDXNE-UHFFFAOYSA-N
XLogP4.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide (CID 90096225) is N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide is Cc1cc(-c2ncccc2-c2ccc3c(cnn3C(=O)NCCCN)c2)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide?
The InChIKey is TWBVHUWBUYDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-12-17(5-7-20(15)24)22-19(4-2-10-26-22)16-6-8-21-18(13-16)14-28-29(21)23(30)27-11-3-9-25/h2,4-8,10,12-14H,3,9,11,25H2,1H3,(H,27,30).
What are the key properties of N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide?
N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide is sourced from PubChem (CID 90096225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).