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

C22H28N6OS — CID 137445687

IUPAC7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H28N6OS/c1-30(29)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/h6-7,12-15,18,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKeyLHNGBWIFZJGJFW-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.89
Rot. Bonds5

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

7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 137445687) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID137445687
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCS(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H28N6OS/c1-30(29)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/h6-7,12-15,18,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKeyLHNGBWIFZJGJFW-UHFFFAOYSA-N
XLogP3.89
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
N,N-dimethyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 175524245
8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine
CID 155036428
(E)-1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-2-methylbut-2-en-1-one
CID 163734758
1-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-6-yl]-3,3,3-trideuteriopropan-1-one
CID 147255708
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
7-cyclopentyl-N,N-dimethyl-2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355422
N-[6-[(6-amino-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]acetamide
CID 18455535
2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329978
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 137445687) is 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is CS(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LHNGBWIFZJGJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-30(29)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/h6-7,12-15,18,23H,2-5,8-11H2,1H3,(H,24,25,26,27).
What are the key properties of 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 424.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 137445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).