1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol

C19H20N4O — CID 91667503

IUPAC1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
SMILESCCn1cc(-c2cn[nH]c2)c2cc(C#CC3(O)CCCC3)ncc21
InChIInChI=1S/C19H20N4O/c1-2-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)5-8-19(24)6-3-4-7-19/h9-13,24H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyMPHNXUKZXHHZPF-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.10
Rot. Bonds2

About 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol

1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol (PubChem CID 91667503) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
PubChem CID91667503
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
SMILESCCn1cc(-c2cn[nH]c2)c2cc(C#CC3(O)CCCC3)ncc21
InChIInChI=1S/C19H20N4O/c1-2-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)5-8-19(24)6-3-4-7-19/h9-13,24H,2-4,6-7H2,1H3,(H,21,22)
InChIKeyMPHNXUKZXHHZPF-UHFFFAOYSA-N
XLogP3.10
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512722
2-methyl-1-(4-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrazol-1-yl)propan-2-ol
CID 71254249
3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-cyclopentylprop-2-yn-1-ol
CID 136188804
3-methyl-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253739
3,5-bis(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253902
US10435405, Example 184
CID 134327797
(3S)-1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-3-amine
CID 71253387
1-[[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-c]pyridin-3-yl]methyl]piperidin-4-amine
CID 71254221
3-methyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512723
4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 117985677
4-[1-(3-methoxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 117985678
4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 117985680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol (CID 91667503) is 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol is CCn1cc(-c2cn[nH]c2)c2cc(C#CC3(O)CCCC3)ncc21.
What is the InChIKey of 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
The InChIKey is MPHNXUKZXHHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)5-8-19(24)6-3-4-7-19/h9-13,24H,2-4,6-7H2,1H3,(H,21,22).
What are the key properties of 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol?
1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol has a molecular weight of 320.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 91667503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).