(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine

C21H20F2N6 — CID 118670727

IUPAC(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C21H20F2N6/c1-2-4-15(24)17-6-3-5-16(27-17)13-7-8-14-12-26-29(19(14)11-13)21-25-10-9-18(28-21)20(22)23/h3,5-12,15,20H,2,4,24H2,1H3/t15-/m0/s1
InChIKeyAFGRLNQGLRQFBI-HNNXBMFYSA-N
MW394.43 g/mol
LogP4.61
Rot. Bonds6

About (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine

(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine (PubChem CID 118670727) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
PubChem CID118670727
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(C(F)F)n4)c3c2)n1
InChIInChI=1S/C21H20F2N6/c1-2-4-15(24)17-6-3-5-16(27-17)13-7-8-14-12-26-29(19(14)11-13)21-25-10-9-18(28-21)20(22)23/h3,5-12,15,20H,2,4,24H2,1H3/t15-/m0/s1
InChIKeyAFGRLNQGLRQFBI-HNNXBMFYSA-N
XLogP4.61
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine with MolForge

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Related Compounds

(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 130231679
[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664690
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 118664726
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
(1S)-1-[6-[4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118663976
(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
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
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
[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118663980

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The IUPAC name of (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine (CID 118670727) is (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine.
What is the SMILES notation for (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The canonical SMILES for (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine is CCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(C(F)F)n4)c3c2)n1.
What is the InChIKey of (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
The InChIKey is AFGRLNQGLRQFBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20F2N6/c1-2-4-15(24)17-6-3-5-16(27-17)13-7-8-14-12-26-29(19(14)11-13)21-25-10-9-18(28-21)20(22)23/h3,5-12,15,20H,2,4,24H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine?
(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine has a molecular weight of 394.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 118670727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).