(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol

C18H17F3N4O — CID 127047414

IUPAC(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCc1nc(N2CC[C@H](O)C2)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyPWRMQUDNGXLDFA-LBPRGKRZSA-N
MW362.36 g/mol
LogP3.52
Rot. Bonds2

About (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol

(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 127047414) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID127047414
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
SMILESCc1nc(N2CC[C@H](O)C2)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyPWRMQUDNGXLDFA-LBPRGKRZSA-N
XLogP3.52
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(R)-1-(4-Methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)pyrimidin-2-yl)pyrrolidin-3-ol
CID 89794927
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
Il-94
CID 73348907
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol
CID 24751024
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol
CID 67959841
1-Propanol, 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)aMino]-2-pyriMidinyl][(6-fluoro-1H-indazol-4-yl)Methyl]aMino]-
CID 73356518
US10954240, Example 47
CID 118930313
3-(6-(1H-indazol-4-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-2,2-dimethylpropan-1-ol
CID 52946207
(3S)-1-[4-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyrimidin-2-yl]pyrrolidin-3-ol
CID 127046692
(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 127047981
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(2-methylindazol-6-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335179

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 127047414) is (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol is Cc1nc(N2CC[C@H](O)C2)ccc1-c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is PWRMQUDNGXLDFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
(3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 362.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 127047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).