4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C18H15N5O — CID 59805808

IUPAC4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESC=CCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C18H15N5O/c1-2-7-23-10-14(11-5-3-4-6-16(11)23)12-8-15(17(19)24)21-18-13(12)9-20-22-18/h2-6,8-10H,1,7H2,(H2,19,24)(H,20,21,22)
InChIKeyUCXLYAJEVMDVBW-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.86
Rot. Bonds4

About 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 59805808) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID59805808
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESC=CCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C18H15N5O/c1-2-7-23-10-14(11-5-3-4-6-16(11)23)12-8-15(17(19)24)21-18-13(12)9-20-22-18/h2-6,8-10H,1,7H2,(H2,19,24)(H,20,21,22)
InChIKeyUCXLYAJEVMDVBW-UHFFFAOYSA-N
XLogP2.86
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 59805808) is 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is C=CCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2ccccc21.
What is the InChIKey of 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is UCXLYAJEVMDVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-7-23-10-14(11-5-3-4-6-16(11)23)12-8-15(17(19)24)21-18-13(12)9-20-22-18/h2-6,8-10H,1,7H2,(H2,19,24)(H,20,21,22).
What are the key properties of 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 59805808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).