4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine

C25H24ClFN4O — CID 176574537

IUPAC4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
SMILESCc1c(N2CCC(Oc3ccc(F)cc3)CC2)ccnc1Nc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C25H24ClFN4O/c1-16-24(31-12-8-20(9-13-31)32-19-4-2-17(27)3-5-19)7-11-29-25(16)30-18-14-22(26)21-6-10-28-23(21)15-18/h2-7,10-11,14-15,20,28H,8-9,12-13H2,1H3,(H,29,30)
InChIKeyQLPYCYGSYOUCJT-UHFFFAOYSA-N
MW450.95 g/mol
LogP6.46
Rot. Bonds5

About 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine

4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine (PubChem CID 176574537) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
PubChem CID176574537
Molecular FormulaC25H24ClFN4O
Molecular Weight450.95 g/mol
Exact Mass450.16
IUPAC Name4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
SMILESCc1c(N2CCC(Oc3ccc(F)cc3)CC2)ccnc1Nc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C25H24ClFN4O/c1-16-24(31-12-8-20(9-13-31)32-19-4-2-17(27)3-5-19)7-11-29-25(16)30-18-14-22(26)21-6-10-28-23(21)15-18/h2-7,10-11,14-15,20,28H,8-9,12-13H2,1H3,(H,29,30)
InChIKeyQLPYCYGSYOUCJT-UHFFFAOYSA-N
XLogP6.46
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine with MolForge

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Related Compounds

(3S)-1-[2-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-3-methyl-4-pyridinyl]piperidin-3-ol
CID 176574594
2-chloro-4-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine
CID 86685248
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
4-[4-(4-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 133454831
N-[5-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethoxy]-4-methoxy-3-methylphenyl]acetamide
CID 91537138
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133316063
2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde
CID 88880056
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-[(3S,4S)-2-[4-[1-(2-chloro-5-fluorophenyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
CID 90151400
N-[(1S)-1-[4-[1-(2-chloro-3-fluoro-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90301768
1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
CID 133345786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine?
The IUPAC name of 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine (CID 176574537) is 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine.
What is the SMILES notation for 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine?
The canonical SMILES for 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine is Cc1c(N2CCC(Oc3ccc(F)cc3)CC2)ccnc1Nc1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine?
The InChIKey is QLPYCYGSYOUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-16-24(31-12-8-20(9-13-31)32-19-4-2-17(27)3-5-19)7-11-29-25(16)30-18-14-22(26)21-6-10-28-23(21)15-18/h2-7,10-11,14-15,20,28H,8-9,12-13H2,1H3,(H,29,30).
What are the key properties of 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine?
4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine has a molecular weight of 450.95 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine is sourced from PubChem (CID 176574537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).