4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

C24H34N8 — CID 175064913

IUPAC4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1cn(N2CCCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)nc(CC)c12
InChIInChI=1S/C24H34N8/c1-3-18-17-32(31-12-6-5-7-13-31)23-22(18)20(4-2)27-24(29-23)28-21-9-8-19(16-26-21)30-14-10-25-11-15-30/h8-9,16-17,25H,3-7,10-15H2,1-2H3,(H,26,27,28,29)
InChIKeyIRWMIIOTIGQSCH-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.23
Rot. Bonds6

About 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine

4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175064913) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175064913
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC Name4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1cn(N2CCCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)nc(CC)c12
InChIInChI=1S/C24H34N8/c1-3-18-17-32(31-12-6-5-7-13-31)23-22(18)20(4-2)27-24(29-23)28-21-9-8-19(16-26-21)30-14-10-25-11-15-30/h8-9,16-17,25H,3-7,10-15H2,1-2H3,(H,26,27,28,29)
InChIKeyIRWMIIOTIGQSCH-UHFFFAOYSA-N
XLogP3.23
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(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
(13R)-13-butan-2-yl-4-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 86303150
(13S)-13-butan-2-yl-4-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 69087599
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
(13S)-12-methyl-4-[(5-piperazin-1-yl-2-pyridinyl)amino]-13-propyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 121419915
1-ethyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopentane-1-carboxamide
CID 119494433
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58015776
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176
[4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanol
CID 10248532
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 175064913) is 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is CCc1cn(N2CCCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)nc(CC)c12.
What is the InChIKey of 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is IRWMIIOTIGQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-3-18-17-32(31-12-6-5-7-13-31)23-22(18)20(4-2)27-24(29-23)28-21-9-8-19(16-26-21)30-14-10-25-11-15-30/h8-9,16-17,25H,3-7,10-15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine?
4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 434.59 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-N-(5-piperazin-1-yl-2-pyridinyl)-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175064913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).