N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H34N6O2S — CID 58293223

IUPACN-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CCC(CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1
InChIInChI=1S/C25H34N6O2S/c1-30(25-23-11-13-27-24(23)28-18-29-25)22-9-7-19(8-10-22)17-34(32,33)31-14-4-5-20(16-31)15-21-6-2-3-12-26-21/h2-3,6,11-13,18-20,22H,4-5,7-10,14-17H2,1H3,(H,27,28,29)
InChIKeyHKFAAWUTTHMCNK-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.63
Rot. Bonds7

About N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 58293223) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID58293223
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC NameN-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CCC(CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1
InChIInChI=1S/C25H34N6O2S/c1-30(25-23-11-13-27-24(23)28-18-29-25)22-9-7-19(8-10-22)17-34(32,33)31-14-4-5-20(16-31)15-21-6-2-3-12-26-21/h2-3,6,11-13,18-20,22H,4-5,7-10,14-17H2,1H3,(H,27,28,29)
InChIKeyHKFAAWUTTHMCNK-UHFFFAOYSA-N
XLogP3.63
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 58293223) is N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CCC(CS(=O)(=O)N2CCCC(Cc3ccccn3)C2)CC1.
What is the InChIKey of N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HKFAAWUTTHMCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-30(25-23-11-13-27-24(23)28-18-29-25)22-9-7-19(8-10-22)17-34(32,33)31-14-4-5-20(16-31)15-21-6-2-3-12-26-21/h2-3,6,11-13,18-20,22H,4-5,7-10,14-17H2,1H3,(H,27,28,29).
What are the key properties of N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 482.65 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58293223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).