6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile

C20H17ClF3N5 — CID 164538891

IUPAC6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(C(F)(F)F)CC2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1
InChIInChI=1S/C20H17ClF3N5/c21-17-8-13(9-18-16(17)1-4-26-18)27-19-10-15(7-14(11-25)28-19)29-5-2-12(3-6-29)20(22,23)24/h1,4,7-10,12,26H,2-3,5-6H2,(H,27,28)
InChIKeyFKXKQYMQGBBJAP-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.61
Rot. Bonds3

About 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 164538891) has the molecular formula C20H17ClF3N5 and a molecular weight of 419.84 g/mol. Its IUPAC name is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID164538891
Molecular FormulaC20H17ClF3N5
Molecular Weight419.84 g/mol
Exact Mass419.11
IUPAC Name6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(C(F)(F)F)CC2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1
InChIInChI=1S/C20H17ClF3N5/c21-17-8-13(9-18-16(17)1-4-26-18)27-19-10-15(7-14(11-25)28-19)29-5-2-12(3-6-29)20(22,23)24/h1,4,7-10,12,26H,2-3,5-6H2,(H,27,28)
InChIKeyFKXKQYMQGBBJAP-UHFFFAOYSA-N
XLogP5.61
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
CID 164538848
6-[(4-chloro-1H-indol-6-yl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carbonitrile
CID 164538841
6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
CID 164538913
N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
CID 164540030
4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
CID 155746684
4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
CID 176574537
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
6-chloro-4-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 176574519
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
3-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 102816688
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
CID 175640206
N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
CID 164539962

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 164538891) is 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCC(C(F)(F)F)CC2)cc(Nc2cc(Cl)c3cc[nH]c3c2)n1.
What is the InChIKey of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FKXKQYMQGBBJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5/c21-17-8-13(9-18-16(17)1-4-26-18)27-19-10-15(7-14(11-25)28-19)29-5-2-12(3-6-29)20(22,23)24/h1,4,7-10,12,26H,2-3,5-6H2,(H,27,28).
What are the key properties of 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 419.84 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 164538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).