7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C20H27N7O — CID 58015776

IUPAC7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C20H27N7O/c1-3-15(4-2)27-18(28)11-14-12-23-20(25-19(14)27)24-17-6-5-16(13-22-17)26-9-7-21-8-10-26/h5-6,12-13,15,21H,3-4,7-11H2,1-2H3,(H,22,23,24,25)
InChIKeyRARLSEWFHXTVPD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.10
Rot. Bonds6

About 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58015776) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58015776
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C20H27N7O/c1-3-15(4-2)27-18(28)11-14-12-23-20(25-19(14)27)24-17-6-5-16(13-22-17)26-9-7-21-8-10-26/h5-6,12-13,15,21H,3-4,7-11H2,1-2H3,(H,22,23,24,25)
InChIKeyRARLSEWFHXTVPD-UHFFFAOYSA-N
XLogP2.10
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[6-[(5,5-dimethyl-6-methylidene-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58015858
(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
8-ethyl-6,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-9-propan-2-yl-5H-pyrazolo[3,4-h]quinazolin-2-amine
CID 139315529
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
5-[2-(4-fluorophenyl)ethyl]-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 10363176
N-[4-[(6-oxo-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide
CID 58015898
4-amino-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbonitrile
CID 10063148
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
6-acetyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-6H-pyrido[2,3-d]pyrimidin-7-one
CID 138059460
9-pentan-3-yl-2-(4-piperazin-1-ylanilino)-7H-purin-8-one
CID 58016031
8-fluoro-6-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-propan-2-yl-1,4-benzothiazin-3-one
CID 166121027

Frequently Asked Questions

What is the IUPAC name of 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58015776) is 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCC(CC)N1C(=O)Cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21.
What is the InChIKey of 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is RARLSEWFHXTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-3-15(4-2)27-18(28)11-14-12-23-20(25-19(14)27)24-17-6-5-16(13-22-17)26-9-7-21-8-10-26/h5-6,12-13,15,21H,3-4,7-11H2,1-2H3,(H,22,23,24,25).
What are the key properties of 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 381.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentan-3-yl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58015776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).