N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H33N7O2S — CID 58293184

IUPACN-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCN(S(=O)(=O)CC3CCC(N(C)c4ncnc5[nH]ccc45)CC3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-18-3-8-22(26-15-18)30-11-13-31(14-12-30)34(32,33)16-19-4-6-20(7-5-19)29(2)24-21-9-10-25-23(21)27-17-28-24/h3,8-10,15,17,19-20H,4-7,11-14,16H2,1-2H3,(H,25,27,28)
InChIKeyFTCVHXXIURBRGK-UHFFFAOYSA-N
MW483.64 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 58293184) has the molecular formula C24H33N7O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID58293184
Molecular FormulaC24H33N7O2S
Molecular Weight483.64 g/mol
Exact Mass483.24
IUPAC NameN-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCN(S(=O)(=O)CC3CCC(N(C)c4ncnc5[nH]ccc45)CC3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-18-3-8-22(26-15-18)30-11-13-31(14-12-30)34(32,33)16-19-4-6-20(7-5-19)29(2)24-21-9-10-25-23(21)27-17-28-24/h3,8-10,15,17,19-20H,4-7,11-14,16H2,1-2H3,(H,25,27,28)
InChIKeyFTCVHXXIURBRGK-UHFFFAOYSA-N
XLogP2.81
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 58293184) is N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(N2CCN(S(=O)(=O)CC3CCC(N(C)c4ncnc5[nH]ccc45)CC3)CC2)nc1.
What is the InChIKey of N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FTCVHXXIURBRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2S/c1-18-3-8-22(26-15-18)30-11-13-31(14-12-30)34(32,33)16-19-4-6-20(7-5-19)29(2)24-21-9-10-25-23(21)27-17-28-24/h3,8-10,15,17,19-20H,4-7,11-14,16H2,1-2H3,(H,25,27,28).
What are the key properties of N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 483.64 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]sulfonylmethyl]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58293184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).