3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal

C17H20N5OP — CID 170960838

IUPAC3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal
SMILESO=CCC(C1CCCC1)n1cc(-c2ncnc3c2ccn3P)cn1
InChIInChI=1S/C17H20N5OP/c23-8-6-15(12-3-1-2-4-12)21-10-13(9-20-21)16-14-5-7-22(24)17(14)19-11-18-16/h5,7-12,15H,1-4,6,24H2
InChIKeyHBNVCOLJOGAWHT-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.25
Rot. Bonds5

About 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal

3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal (PubChem CID 170960838) has the molecular formula C17H20N5OP and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal.

Molecular Properties

Compound Name3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal
PubChem CID170960838
Molecular FormulaC17H20N5OP
Molecular Weight341.36 g/mol
Exact Mass341.14
IUPAC Name3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal
SMILESO=CCC(C1CCCC1)n1cc(-c2ncnc3c2ccn3P)cn1
InChIInChI=1S/C17H20N5OP/c23-8-6-15(12-3-1-2-4-12)21-10-13(9-20-21)16-14-5-7-22(24)17(14)19-11-18-16/h5,7-12,15H,1-4,6,24H2
InChIKeyHBNVCOLJOGAWHT-UHFFFAOYSA-N
XLogP3.25
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
CID 59420145
4-chloro-7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidine;(3S)-3-cyclopentyl-3-[4-[7-(diethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 161128417
(3R)-3-cyclopentyl-3-[4-[7-[2-(3-phenoxyphenyl)propanoyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 166484534
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanoic acid
CID 130203785
methyl (3R)-3-cyclopentyl-3-[4-[7-(12,12-dimethyltridecoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanoate
CID 151203582
but-2-enedioic acid;3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 74388868
2-[[4-[1-[(1S)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidine-7-carbonyl]-methylamino]ethyl cyclohexanecarboxylate
CID 176779891
4-[1-(1-cyclopentyl-4,4-difluorobutyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 57478013
[4-[1-[(1R)-2-cyano-1-(3,3,4,4-tetradeuteriocyclopentyl)ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
CID 161355717
(3S)-3-cyclobutyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid
CID 53372673
[4-[1-[(1S)-1-cyclopentyl-2-isocyanoethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 171731010
4-[1-(1-cyclopentylbut-3-ynyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 86613013

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal?
The IUPAC name of 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal (CID 170960838) is 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal.
What is the SMILES notation for 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal?
The canonical SMILES for 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal is O=CCC(C1CCCC1)n1cc(-c2ncnc3c2ccn3P)cn1.
What is the InChIKey of 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal?
The InChIKey is HBNVCOLJOGAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N5OP/c23-8-6-15(12-3-1-2-4-12)21-10-13(9-20-21)16-14-5-7-22(24)17(14)19-11-18-16/h5,7-12,15H,1-4,6,24H2.
What are the key properties of 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal?
3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal has a molecular weight of 341.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[4-(7-phosphanylpyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanal is sourced from PubChem (CID 170960838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).