5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C16H16N4 — CID 59238861

IUPAC5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cn1
InChIInChI=1S/C16H16N4/c1-20-10-13(8-19-20)15-9-18-16-14(15)6-12(7-17-16)11-4-2-3-5-11/h4,6-10H,2-3,5H2,1H3,(H,17,18)
InChIKeySDZYSLVQLQVUBU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.53
Rot. Bonds2

About 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59238861) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59238861
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cn1
InChIInChI=1S/C16H16N4/c1-20-10-13(8-19-20)15-9-18-16-14(15)6-12(7-17-16)11-4-2-3-5-11/h4,6-10H,2-3,5H2,1H3,(H,17,18)
InChIKeySDZYSLVQLQVUBU-UHFFFAOYSA-N
XLogP3.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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PF-06454589
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4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570095
(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570096
3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 155570099
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59238861) is 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3ncc(C4=CCCC4)cc23)cn1.
What is the InChIKey of 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SDZYSLVQLQVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20-10-13(8-19-20)15-9-18-16-14(15)6-12(7-17-16)11-4-2-3-5-11/h4,6-10H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 264.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).