5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine

C20H16F3N5 — CID 172570883

IUPAC5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)c3)cc12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)15-4-1-12(2-5-15)11-26-18-10-14(7-8-25-18)13-3-6-17-16(9-13)19(24)28-27-17/h1-10H,11H2,(H,25,26)(H3,24,27,28)
InChIKeyVKYAYTPGMKDJNT-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.84
Rot. Bonds4

About 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine

5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 172570883) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
PubChem CID172570883
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)c3)cc12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)15-4-1-12(2-5-15)11-26-18-10-14(7-8-25-18)13-3-6-17-16(9-13)19(24)28-27-17/h1-10H,11H2,(H,25,26)(H3,24,27,28)
InChIKeyVKYAYTPGMKDJNT-UHFFFAOYSA-N
XLogP4.84
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571058
5-[2-(propan-2-ylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170352224
5-[2-(2-pyridin-2-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571136
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
4-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 12889438
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571033
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine (CID 172570883) is 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)c3)cc12.
What is the InChIKey of 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is VKYAYTPGMKDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)15-4-1-12(2-5-15)11-26-18-10-14(7-8-25-18)13-3-6-17-16(9-13)19(24)28-27-17/h1-10H,11H2,(H,25,26)(H3,24,27,28).
What are the key properties of 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine?
5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 383.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 172570883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).