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

C19H23ClF2N6O — CID 177318071

IUPAC(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
SMILESO[C@H]1CCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C[C@@H]1F
InChIInChI=1S/C19H23ClF2N6O/c20-13-10-24-17(9-14(13)21)25-18-7-12(27-5-2-23-3-6-27)8-19(26-18)28-4-1-16(29)15(22)11-28/h7-10,15-16,23,29H,1-6,11H2,(H,24,25,26)/t15-,16-/m0/s1
InChIKeySSECOSUUCRXQJW-HOTGVXAUSA-N
MW424.88 g/mol
LogP2.33
Rot. Bonds4

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

(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol (PubChem CID 177318071) has the molecular formula C19H23ClF2N6O and a molecular weight of 424.88 g/mol. Its IUPAC name is (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
PubChem CID177318071
Molecular FormulaC19H23ClF2N6O
Molecular Weight424.88 g/mol
Exact Mass424.16
IUPAC Name(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
SMILESO[C@H]1CCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C[C@@H]1F
InChIInChI=1S/C19H23ClF2N6O/c20-13-10-24-17(9-14(13)21)25-18-7-12(27-5-2-23-3-6-27)8-19(26-18)28-4-1-16(29)15(22)11-28/h7-10,15-16,23,29H,1-6,11H2,(H,24,25,26)/t15-,16-/m0/s1
InChIKeySSECOSUUCRXQJW-HOTGVXAUSA-N
XLogP2.33
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-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
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
CID 177317936
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
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
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
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
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
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol?
The IUPAC name of (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol (CID 177318071) is (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol is O[C@H]1CCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C[C@@H]1F.
What is the InChIKey of (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol?
The InChIKey is SSECOSUUCRXQJW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23ClF2N6O/c20-13-10-24-17(9-14(13)21)25-18-7-12(27-5-2-23-3-6-27)8-19(26-18)28-4-1-16(29)15(22)11-28/h7-10,15-16,23,29H,1-6,11H2,(H,24,25,26)/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol?
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol has a molecular weight of 424.88 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol is sourced from PubChem (CID 177318071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).