N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H19N5O3S — CID 118868875

IUPACN-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2cnc3ccoc3c2)C1
InChIInChI=1S/C19H19N5O3S/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-28(25,26)14-8-17-16(21-9-14)3-5-27-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23)
InChIKeyPPUCWLVSPNIYBQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.79
Rot. Bonds5

About N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118868875) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118868875
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2cnc3ccoc3c2)C1
InChIInChI=1S/C19H19N5O3S/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-28(25,26)14-8-17-16(21-9-14)3-5-27-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23)
InChIKeyPPUCWLVSPNIYBQ-UHFFFAOYSA-N
XLogP2.79
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118868875) is N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2cnc3ccoc3c2)C1.
What is the InChIKey of N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PPUCWLVSPNIYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-24(19-15-2-4-20-18(15)22-11-23-19)13-6-12(7-13)10-28(25,26)14-8-17-16(21-9-14)3-5-27-17/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,20,22,23).
What are the key properties of N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 397.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furo[3,2-b]pyridin-6-ylsulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118868875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).