N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine

C25H30N6O2S — CID 67606349

IUPACN-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine
SMILESCCc1cnc(N2CCC(Nc3ccc(N4CCc5cc(S(C)(=O)=O)ccc54)nc3)CC2)nc1
InChIInChI=1S/C25H30N6O2S/c1-3-18-15-27-25(28-16-18)30-11-9-20(10-12-30)29-21-4-7-24(26-17-21)31-13-8-19-14-22(34(2,32)33)5-6-23(19)31/h4-7,14-17,20,29H,3,8-13H2,1-2H3
InChIKeyITJRMKYBVADOPH-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.61
Rot. Bonds6

About N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine

N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine (PubChem CID 67606349) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine
PubChem CID67606349
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine
SMILESCCc1cnc(N2CCC(Nc3ccc(N4CCc5cc(S(C)(=O)=O)ccc54)nc3)CC2)nc1
InChIInChI=1S/C25H30N6O2S/c1-3-18-15-27-25(28-16-18)30-11-9-20(10-12-30)29-21-4-7-24(26-17-21)31-13-8-19-14-22(34(2,32)33)5-6-23(19)31/h4-7,14-17,20,29H,3,8-13H2,1-2H3
InChIKeyITJRMKYBVADOPH-UHFFFAOYSA-N
XLogP3.61
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine?
The IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine (CID 67606349) is N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine is CCc1cnc(N2CCC(Nc3ccc(N4CCc5cc(S(C)(=O)=O)ccc54)nc3)CC2)nc1.
What is the InChIKey of N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine?
The InChIKey is ITJRMKYBVADOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-3-18-15-27-25(28-16-18)30-11-9-20(10-12-30)29-21-4-7-24(26-17-21)31-13-8-19-14-22(34(2,32)33)5-6-23(19)31/h4-7,14-17,20,29H,3,8-13H2,1-2H3.
What are the key properties of N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine?
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine has a molecular weight of 478.62 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyridin-3-amine is sourced from PubChem (CID 67606349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).