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

C19H24ClFN6O — CID 177317957

IUPAC1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C1
InChIInChI=1S/C19H24ClFN6O/c20-15-11-23-17(10-16(15)21)24-18-8-13(26-6-3-22-4-7-26)9-19(25-18)27-5-1-2-14(28)12-27/h8-11,14,22,28H,1-7,12H2,(H,23,24,25)
InChIKeyLNBMWXGVLHKLFT-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.38
Rot. Bonds4

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

1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol (PubChem CID 177317957) has the molecular formula C19H24ClFN6O and a molecular weight of 406.89 g/mol. Its IUPAC name is 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
PubChem CID177317957
Molecular FormulaC19H24ClFN6O
Molecular Weight406.89 g/mol
Exact Mass406.17
IUPAC Name1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C1
InChIInChI=1S/C19H24ClFN6O/c20-15-11-23-17(10-16(15)21)24-18-8-13(26-6-3-22-4-7-26)9-19(25-18)27-5-1-2-14(28)12-27/h8-11,14,22,28H,1-7,12H2,(H,23,24,25)
InChIKeyLNBMWXGVLHKLFT-UHFFFAOYSA-N
XLogP2.38
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(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-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
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
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
1-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]piperidin-3-ol
CID 177317955
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 115265268

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol (CID 177317957) is 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol is OC1CCCN(c2cc(N3CCNCC3)cc(Nc3cc(F)c(Cl)cn3)n2)C1.
What is the InChIKey of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol?
The InChIKey is LNBMWXGVLHKLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN6O/c20-15-11-23-17(10-16(15)21)24-18-8-13(26-6-3-22-4-7-26)9-19(25-18)27-5-1-2-14(28)12-27/h8-11,14,22,28H,1-7,12H2,(H,23,24,25).
What are the key properties of 1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol?
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol has a molecular weight of 406.89 g/mol, XLogP of 2.38, 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]piperidin-3-ol is sourced from PubChem (CID 177317957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).