N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

C26H32F4N6O2 — CID 138715232

IUPACN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(N1CCC[C@H](OC)C1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C26H32F4N6O2/c1-3-31-22-13-21-19(14-33-22)24(35-12-4-5-18(15-35)37-2)34-36(21)16-6-8-17(9-7-16)38-25-23(27)20(10-11-32-25)26(28,29)30/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H,31,33)/t16?,17?,18-/m0/s1
InChIKeyBNPDEZXLADUGPG-ABHNRTSZSA-N
MW536.57 g/mol
LogP5.59
Rot. Bonds7

About N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715232) has the molecular formula C26H32F4N6O2 and a molecular weight of 536.57 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715232
Molecular FormulaC26H32F4N6O2
Molecular Weight536.57 g/mol
Exact Mass536.25
IUPAC NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(N1CCC[C@H](OC)C1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C26H32F4N6O2/c1-3-31-22-13-21-19(14-33-22)24(35-12-4-5-18(15-35)37-2)34-36(21)16-6-8-17(9-7-16)38-25-23(27)20(10-11-32-25)26(28,29)30/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H,31,33)/t16?,17?,18-/m0/s1
InChIKeyBNPDEZXLADUGPG-ABHNRTSZSA-N
XLogP5.59
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.57
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715232) is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(N1CCC[C@H](OC)C1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is BNPDEZXLADUGPG-ABHNRTSZSA-N. The full InChI is InChI=1S/C26H32F4N6O2/c1-3-31-22-13-21-19(14-33-22)24(35-12-4-5-18(15-35)37-2)34-36(21)16-6-8-17(9-7-16)38-25-23(27)20(10-11-32-25)26(28,29)30/h10-11,13-14,16-18H,3-9,12,15H2,1-2H3,(H,31,33)/t16?,17?,18-/m0/s1.
What are the key properties of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 536.57 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-[(3S)-3-methoxypiperidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).