1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine

C24H27F2N5 — CID 45206123

IUPAC1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NC2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C24H27F2N5/c25-18-11-19(26)13-21(12-18)31-24-5-1-4-23(22(24)15-28-31)29-20-6-9-30(10-7-20)16-17-3-2-8-27-14-17/h2-3,8,11-15,20,23,29H,1,4-7,9-10,16H2
InChIKeyHWEKKQQOZKKSEJ-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine

1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45206123) has the molecular formula C24H27F2N5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45206123
Molecular FormulaC24H27F2N5
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFc1cc(F)cc(-n2ncc3c2CCCC3NC2CCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C24H27F2N5/c25-18-11-19(26)13-21(12-18)31-24-5-1-4-23(22(24)15-28-31)29-20-6-9-30(10-7-20)16-17-3-2-8-27-14-17/h2-3,8,11-15,20,23,29H,1,4-7,9-10,16H2
InChIKeyHWEKKQQOZKKSEJ-UHFFFAOYSA-N
XLogP4.18
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
CID 45206380
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 42455229
1-(3,5-dimethylphenyl)-N-(oxan-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45222375
1-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylurea
CID 72856967
1-(3-fluorophenyl)-6,6-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5,7-dihydro-4H-indazol-4-amine
CID 45212386
N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75517321
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957
1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45183884

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine (CID 45206123) is 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine is Fc1cc(F)cc(-n2ncc3c2CCCC3NC2CCN(Cc3cccnc3)CC2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is HWEKKQQOZKKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5/c25-18-11-19(26)13-21(12-18)31-24-5-1-4-23(22(24)15-28-31)29-20-6-9-30(10-7-20)16-17-3-2-8-27-14-17/h2-3,8,11-15,20,23,29H,1,4-7,9-10,16H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine?
1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 423.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45206123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).