7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine

C22H26N6O2S — CID 137445686

IUPAC7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc2cnc(Nc3ccc(C4=CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O2S/c1-31(29,30)20-12-17-14-25-22(27-21(17)28(20)18-4-2-3-5-18)26-19-7-6-16(13-24-19)15-8-10-23-11-9-15/h6-8,12-14,18,23H,2-5,9-11H2,1H3,(H,24,25,26,27)
InChIKeyIRSCSJFRHYGVQY-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.47
Rot. Bonds5

About 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 137445686) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID137445686
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc2cnc(Nc3ccc(C4=CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O2S/c1-31(29,30)20-12-17-14-25-22(27-21(17)28(20)18-4-2-3-5-18)26-19-7-6-16(13-24-19)15-8-10-23-11-9-15/h6-8,12-14,18,23H,2-5,9-11H2,1H3,(H,24,25,26,27)
InChIKeyIRSCSJFRHYGVQY-UHFFFAOYSA-N
XLogP3.47
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 137445686) is 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine is CS(=O)(=O)c1cc2cnc(Nc3ccc(C4=CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is IRSCSJFRHYGVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-31(29,30)20-12-17-14-25-22(27-21(17)28(20)18-4-2-3-5-18)26-19-7-6-16(13-24-19)15-8-10-23-11-9-15/h6-8,12-14,18,23H,2-5,9-11H2,1H3,(H,24,25,26,27).
What are the key properties of 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 438.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-methylsulfonyl-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 137445686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).