N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

C21H17FN4 — CID 156734092

IUPACN-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1cccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H17FN4/c22-16-5-3-4-15(12-16)14-24-18-8-10-21-19(13-18)20(25-26-21)9-7-17-6-1-2-11-23-17/h1-13,24H,14H2,(H,25,26)/b9-7+
InChIKeyNLXBSFDJKLDGBF-VQHVLOKHSA-N
MW344.39 g/mol
LogP4.88
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine

N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (PubChem CID 156734092) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
PubChem CID156734092
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
SMILESFc1cccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C21H17FN4/c22-16-5-3-4-15(12-16)14-24-18-8-10-21-19(13-18)20(25-26-21)9-7-17-6-1-2-11-23-17/h1-13,24H,14H2,(H,25,26)/b9-7+
InChIKeyNLXBSFDJKLDGBF-VQHVLOKHSA-N
XLogP4.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Serdemetan
CID 11609586
Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
Besipirdine
CID 60691
Nerispirdine
CID 3081185
3-pyridin-4-yl-1H-indazole
CID 12412578
3-{[4-(4-fluorophenyl)piperazino]methyl}-1H-indole
CID 2812866
N-(4-pyridinyl)-1H-indol-1-amine
CID 3081186
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(1H-indol-5-ylamino)-5-styrylnicotinonitrile
CID 45485012

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine (CID 156734092) is N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is Fc1cccc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
The InChIKey is NLXBSFDJKLDGBF-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H17FN4/c22-16-5-3-4-15(12-16)14-24-18-8-10-21-19(13-18)20(25-26-21)9-7-17-6-1-2-11-23-17/h1-13,24H,14H2,(H,25,26)/b9-7+.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine?
N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine has a molecular weight of 344.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine is sourced from PubChem (CID 156734092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).