6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine

C20H23F5N6 — CID 177318004

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
SMILESCc1cnc(Nc2cc(N3CCNCC3)cc(N3CCC(F)(F)C3)n2)cc1C(F)(F)F
InChIInChI=1S/C20H23F5N6/c1-13-11-27-16(10-15(13)20(23,24)25)28-17-8-14(30-6-3-26-4-7-30)9-18(29-17)31-5-2-19(21,22)12-31/h8-11,26H,2-7,12H2,1H3,(H,27,28,29)
InChIKeyHIIORVVCVCRKQA-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.80
Rot. Bonds4

About 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine

6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine (PubChem CID 177318004) has the molecular formula C20H23F5N6 and a molecular weight of 442.44 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
PubChem CID177318004
Molecular FormulaC20H23F5N6
Molecular Weight442.44 g/mol
Exact Mass442.19
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
SMILESCc1cnc(Nc2cc(N3CCNCC3)cc(N3CCC(F)(F)C3)n2)cc1C(F)(F)F
InChIInChI=1S/C20H23F5N6/c1-13-11-27-16(10-15(13)20(23,24)25)28-17-8-14(30-6-3-26-4-7-30)9-18(29-17)31-5-2-19(21,22)12-31/h8-11,26H,2-7,12H2,1H3,(H,27,28,29)
InChIKeyHIIORVVCVCRKQA-UHFFFAOYSA-N
XLogP3.80
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
1-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[5-[2-[2-[6-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperazin-1-yl-2-pyridinyl]amino]-4-(trifluoromethyl)-3-pyridinyl]cyclopropyl]cyclopropyl]pyrazin-2-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 177318067
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2-pyridinyl]-5-methylpyrazin-2-amine
CID 176612063
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
CID 177317936
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167500011
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167500088
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[4-(methyliminomethyl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 154012581
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
CID 177318071
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
CID 177317932
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine (CID 177318004) is 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine is Cc1cnc(Nc2cc(N3CCNCC3)cc(N3CCC(F)(F)C3)n2)cc1C(F)(F)F.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine?
The InChIKey is HIIORVVCVCRKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F5N6/c1-13-11-27-16(10-15(13)20(23,24)25)28-17-8-14(30-6-3-26-4-7-30)9-18(29-17)31-5-2-19(21,22)12-31/h8-11,26H,2-7,12H2,1H3,(H,27,28,29).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine?
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine has a molecular weight of 442.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 177318004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).