[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol

C24H20F3N7O — CID 118663906

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3cc(C(F)(F)F)[nH]n3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H20F3N7O/c1-13(28)18-5-3-6-19(31-18)14-8-16(20-10-22(33-32-20)24(25,26)27)17-11-29-34(21(17)9-14)23-7-2-4-15(12-35)30-23/h2-11,13,35H,12,28H2,1H3,(H,32,33)/t13-/m0/s1
InChIKeyZCAOKZXRSYWYRL-ZDUSSCGKSA-N
MW479.47 g/mol
LogP4.40
Rot. Bonds5

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663906) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663906
Molecular FormulaC24H20F3N7O
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2cc(-c3cc(C(F)(F)F)[nH]n3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H20F3N7O/c1-13(28)18-5-3-6-19(31-18)14-8-16(20-10-22(33-32-20)24(25,26)27)17-11-29-34(21(17)9-14)23-7-2-4-15(12-35)30-23/h2-11,13,35H,12,28H2,1H3,(H,32,33)/t13-/m0/s1
InChIKeyZCAOKZXRSYWYRL-ZDUSSCGKSA-N
XLogP4.40
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 127047414
(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 127047981
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 164624976
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10246456, Example 111
CID 118663752
US10577367, Example 452
CID 118663769
US10246456, Example 427
CID 118663821
US10246456, Example 545
CID 118663832
US10246456, Example 57
CID 118663877
US10246456, Example 333
CID 118663918

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol (CID 118663906) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2cc(-c3cc(C(F)(F)F)[nH]n3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is ZCAOKZXRSYWYRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-13(28)18-5-3-6-19(31-18)14-8-16(20-10-22(33-32-20)24(25,26)27)17-11-29-34(21(17)9-14)23-7-2-4-15(12-35)30-23/h2-11,13,35H,12,28H2,1H3,(H,32,33)/t13-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 479.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).