(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol

C19H20ClFN4O — CID 176574594

IUPAC(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol
SMILESCc1c(N2CCC[C@H](O)C2)ccnc1Nc1cc(Cl)c2c(F)c[nH]c2c1
InChIInChI=1S/C19H20ClFN4O/c1-11-17(25-6-2-3-13(26)10-25)4-5-22-19(11)24-12-7-14(20)18-15(21)9-23-16(18)8-12/h4-5,7-9,13,23,26H,2-3,6,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJKIULSWJCHLSTC-ZDUSSCGKSA-N
MW374.85 g/mol
LogP4.37
Rot. Bonds3

About (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol

(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol (PubChem CID 176574594) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol
PubChem CID176574594
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol
SMILESCc1c(N2CCC[C@H](O)C2)ccnc1Nc1cc(Cl)c2c(F)c[nH]c2c1
InChIInChI=1S/C19H20ClFN4O/c1-11-17(25-6-2-3-13(26)10-25)4-5-22-19(11)24-12-7-14(20)18-15(21)9-23-16(18)8-12/h4-5,7-9,13,23,26H,2-3,6,10H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyJKIULSWJCHLSTC-ZDUSSCGKSA-N
XLogP4.37
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312
(3R)-1-[2-(5-methyl-1H-indol-3-yl)pyrimidin-4-yl]piperidin-3-ol
CID 99933862
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102218
(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102216
2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68673464
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 115265268
4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
CID 114844067
(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
CID 97258754
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol (CID 176574594) is (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol is Cc1c(N2CCC[C@H](O)C2)ccnc1Nc1cc(Cl)c2c(F)c[nH]c2c1.
What is the InChIKey of (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol?
The InChIKey is JKIULSWJCHLSTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-11-17(25-6-2-3-13(26)10-25)4-5-22-19(11)24-12-7-14(20)18-15(21)9-23-16(18)8-12/h4-5,7-9,13,23,26H,2-3,6,10H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol?
(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol has a molecular weight of 374.85 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 176574594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).