(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

C21H19F2N5 — CID 118664726

IUPAC(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C21H19F2N5/c1-2-15(24)17-6-3-5-16(26-17)13-9-10-14-12-25-28(19(14)11-13)20-8-4-7-18(27-20)21(22)23/h3-12,15,21H,2,24H2,1H3/t15-/m0/s1
InChIKeyZTOBBDKLWLTAQE-HNNXBMFYSA-N
MW379.41 g/mol
LogP4.83
Rot. Bonds5

About (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (PubChem CID 118664726) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
PubChem CID118664726
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC Name(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C21H19F2N5/c1-2-15(24)17-6-3-5-16(26-17)13-9-10-14-12-25-28(19(14)11-13)20-8-4-7-18(27-20)21(22)23/h3-12,15,21H,2,24H2,1H3/t15-/m0/s1
InChIKeyZTOBBDKLWLTAQE-HNNXBMFYSA-N
XLogP4.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine 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

(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 130231679
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799
6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 160750396
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118670727
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
(3S)-3-amino-3-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propanenitrile
CID 130227548
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664654

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (CID 118664726) is (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is CC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)F)n4)c3c2)n1.
What is the InChIKey of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is ZTOBBDKLWLTAQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-2-15(24)17-6-3-5-16(26-17)13-9-10-14-12-25-28(19(14)11-13)20-8-4-7-18(27-20)21(22)23/h3-12,15,21H,2,24H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 379.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 118664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).