(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

C25H30F2N4O — CID 166525271

IUPAC(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3cc(C(C)(F)F)[nH]n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C25H30F2N4O/c1-16(2)17-6-8-19(9-7-17)25(32,23(3)14-31(5)15-23)20-10-18(12-28-13-20)21-11-22(30-29-21)24(4,26)27/h6-13,16,32H,14-15H2,1-5H3,(H,29,30)/t25-/m0/s1
InChIKeyKFXWZZMPNNBCTQ-VWLOTQADSA-N
MW440.54 g/mol
LogP4.89
Rot. Bonds6

About (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol

(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 166525271) has the molecular formula C25H30F2N4O and a molecular weight of 440.54 g/mol. Its IUPAC name is (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID166525271
Molecular FormulaC25H30F2N4O
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3cc(C(C)(F)F)[nH]n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C25H30F2N4O/c1-16(2)17-6-8-19(9-7-17)25(32,23(3)14-31(5)15-23)20-10-18(12-28-13-20)21-11-22(30-29-21)24(4,26)27/h6-13,16,32H,14-15H2,1-5H3,(H,29,30)/t25-/m0/s1
InChIKeyKFXWZZMPNNBCTQ-VWLOTQADSA-N
XLogP4.89
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

[2-[4-(1H-pyrazol-5-yl)phenyl]pyridin-4-yl]methanol
CID 74233397
2-{5-[4-(1H-pyrazol-5-yl)phenyl]pyridin-3-yl}propan-2-ol
CID 121500067
2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 11552812
(3-fluorophenyl)-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)methanol
CID 22574546
5-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methylpentan-2-ol
CID 22953933
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylbutan-1-ol
CID 24821593
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-2-methyl-3-phenylpropan-1-ol
CID 24821594
3-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylpropan-1-ol
CID 24821850
2-{6-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-3-pyridinyl}-2-propanol
CID 58302206
[5-[(4-fluorophenyl)methyl]-3-pyridin-4-yl-1H-pyrazol-4-yl]methanol
CID 69312590
3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
CID 69350180
1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol
CID 69350432

Frequently Asked Questions

What is the IUPAC name of (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol (CID 166525271) is (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3cc(C(C)(F)F)[nH]n3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is KFXWZZMPNNBCTQ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30F2N4O/c1-16(2)17-6-8-19(9-7-17)25(32,23(3)14-31(5)15-23)20-10-18(12-28-13-20)21-11-22(30-29-21)24(4,26)27/h6-13,16,32H,14-15H2,1-5H3,(H,29,30)/t25-/m0/s1.
What are the key properties of (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol?
(R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 440.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 166525271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).