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

C18H17F3N4O — CID 127047981

IUPAC(3R)-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-/m1/s1
InChIKeyPWRMQUDNGXLDFA-GFCCVEGCSA-N
MW362.36 g/mol
LogP3.52
Rot. Bonds2

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

(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 127047981) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID127047981
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name(3R)-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-/m1/s1
InChIKeyPWRMQUDNGXLDFA-GFCCVEGCSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 127047981) is (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-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 (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is PWRMQUDNGXLDFA-GFCCVEGCSA-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-/m1/s1.
What are the key properties of (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol?
(3R)-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 (3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 127047981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).