N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H34N6O2S — CID 58293094

IUPACN-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(C[C@H]2CCCN2S(=O)(=O)CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)n1
InChIInChI=1S/C25H34N6O2S/c1-18-5-3-6-20(29-18)15-22-7-4-14-31(22)34(32,33)16-19-8-10-21(11-9-19)30(2)25-23-12-13-26-24(23)27-17-28-25/h3,5-6,12-13,17,19,21-22H,4,7-11,14-16H2,1-2H3,(H,26,27,28)/t19?,21?,22-/m1/s1
InChIKeyDYMAKIROUVTATN-KITAHSCOSA-N
MW482.65 g/mol
LogP3.69
Rot. Bonds7

About N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 58293094) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID58293094
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC NameN-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(C[C@H]2CCCN2S(=O)(=O)CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)n1
InChIInChI=1S/C25H34N6O2S/c1-18-5-3-6-20(29-18)15-22-7-4-14-31(22)34(32,33)16-19-8-10-21(11-9-19)30(2)25-23-12-13-26-24(23)27-17-28-25/h3,5-6,12-13,17,19,21-22H,4,7-11,14-16H2,1-2H3,(H,26,27,28)/t19?,21?,22-/m1/s1
InChIKeyDYMAKIROUVTATN-KITAHSCOSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-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-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 58293094) is N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(C[C@H]2CCCN2S(=O)(=O)CC2CCC(N(C)c3ncnc4[nH]ccc34)CC2)n1.
What is the InChIKey of N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DYMAKIROUVTATN-KITAHSCOSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-18-5-3-6-20(29-18)15-22-7-4-14-31(22)34(32,33)16-19-8-10-21(11-9-19)30(2)25-23-12-13-26-24(23)27-17-28-25/h3,5-6,12-13,17,19,21-22H,4,7-11,14-16H2,1-2H3,(H,26,27,28)/t19?,21?,22-/m1/s1.
What are the key properties of N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[4-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 482.65 g/mol, XLogP of 3.69, 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-[[(2R)-2-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58293094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).