1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol

C19H22ClF3N6O — CID 177317936

IUPAC1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
SMILESOC1CN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)CCC1(F)F
InChIInChI=1S/C19H22ClF3N6O/c20-13-10-25-16(9-14(13)21)26-17-7-12(28-5-2-24-3-6-28)8-18(27-17)29-4-1-19(22,23)15(30)11-29/h7-10,15,24,30H,1-6,11H2,(H,25,26,27)
InChIKeyPYJYOKUKXOCQAS-UHFFFAOYSA-N
MW442.87 g/mol
LogP2.63
Rot. Bonds4

About 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol

1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol (PubChem CID 177317936) has the molecular formula C19H22ClF3N6O and a molecular weight of 442.87 g/mol. Its IUPAC name is 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol.

Molecular Properties

Compound Name1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
PubChem CID177317936
Molecular FormulaC19H22ClF3N6O
Molecular Weight442.87 g/mol
Exact Mass442.15
IUPAC Name1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
SMILESOC1CN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)CCC1(F)F
InChIInChI=1S/C19H22ClF3N6O/c20-13-10-25-16(9-14(13)21)26-17-7-12(28-5-2-24-3-6-28)8-18(27-17)29-4-1-19(22,23)15(30)11-29/h7-10,15,24,30H,1-6,11H2,(H,25,26,27)
InChIKeyPYJYOKUKXOCQAS-UHFFFAOYSA-N
XLogP2.63
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
CID 177318071
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
CID 177317932
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
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
2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 141309918
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The IUPAC name of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol (CID 177317936) is 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol.
What is the SMILES notation for 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The canonical SMILES for 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol is OC1CN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)CCC1(F)F.
What is the InChIKey of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
The InChIKey is PYJYOKUKXOCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N6O/c20-13-10-25-16(9-14(13)21)26-17-7-12(28-5-2-24-3-6-28)8-18(27-17)29-4-1-19(22,23)15(30)11-29/h7-10,15,24,30H,1-6,11H2,(H,25,26,27).
What are the key properties of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol?
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol has a molecular weight of 442.87 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol is sourced from PubChem (CID 177317936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).