[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone

C25H22FN5O2 — CID 122196084

IUPAC[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)cc3)c12
InChIInChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)
InChIKeyKEQJVXCNVVFRCN-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.55
Rot. Bonds3

About [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone

[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 122196084) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID122196084
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
SMILESNc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)cc3)c12
InChIInChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)
InChIKeyKEQJVXCNVVFRCN-UHFFFAOYSA-N
XLogP3.55
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

Kw-2449
CID 11427553
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11496743
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
N-[1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25252725
N-[(1S)-1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25253019

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone (CID 122196084) is [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone is Nc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5cccc(F)c5)CC4)cc3)c12.
What is the InChIKey of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is KEQJVXCNVVFRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29).
What are the key properties of [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone?
[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 443.48 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 122196084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).