6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide

C21H18N4O — CID 90644662

IUPAC6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)NC5CC5)cccc4c3)c12
InChIInChI=1S/C21H18N4O/c22-20-19-16(4-2-6-18(19)24-25-20)13-7-10-15-12(11-13)3-1-5-17(15)21(26)23-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,23,26)(H3,22,24,25)
InChIKeyQXOCJYVEXQVZSL-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.86
Rot. Bonds3

About 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide (PubChem CID 90644662) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
PubChem CID90644662
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)NC5CC5)cccc4c3)c12
InChIInChI=1S/C21H18N4O/c22-20-19-16(4-2-6-18(19)24-25-20)13-7-10-15-12(11-13)3-1-5-17(15)21(26)23-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,23,26)(H3,22,24,25)
InChIKeyQXOCJYVEXQVZSL-UHFFFAOYSA-N
XLogP3.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide (CID 90644662) is 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)NC5CC5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide?
The InChIKey is QXOCJYVEXQVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-20-19-16(4-2-6-18(19)24-25-20)13-7-10-15-12(11-13)3-1-5-17(15)21(26)23-14-8-9-14/h1-7,10-11,14H,8-9H2,(H,23,26)(H3,22,24,25).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide is sourced from PubChem (CID 90644662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).