[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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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).