3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide

C21H18N6O2 — CID 53324615

IUPAC3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)Cc1cn[nH]c1-2
InChIInChI=1S/C21H18N6O2/c1-22-6-7-24-21(28)20-19(16-4-5-23-11-17(16)29-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h2-7,9-11,22,26H,8H2,1H3,(H,24,28)(H,25,27)/b7-6+
InChIKeyHUHRYGTYUHLTKN-VOTSOKGWSA-N
MW386.42 g/mol
LogP3.29
Rot. Bonds5

About 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide

3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 53324615) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID53324615
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)Cc1cn[nH]c1-2
InChIInChI=1S/C21H18N6O2/c1-22-6-7-24-21(28)20-19(16-4-5-23-11-17(16)29-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h2-7,9-11,22,26H,8H2,1H3,(H,24,28)(H,25,27)/b7-6+
InChIKeyHUHRYGTYUHLTKN-VOTSOKGWSA-N
XLogP3.29
TPSA107.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide (CID 53324615) is 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide is CN/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)Cc1cn[nH]c1-2.
What is the InChIKey of 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HUHRYGTYUHLTKN-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-22-6-7-24-21(28)20-19(16-4-5-23-11-17(16)29-20)26-14-2-3-15-12(9-14)8-13-10-25-27-18(13)15/h2-7,9-11,22,26H,8H2,1H3,(H,24,28)(H,25,27)/b7-6+.
What are the key properties of 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide?
3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydroindeno[2,1-d]pyrazol-6-ylamino)-N-[(E)-2-(methylamino)ethenyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53324615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).