3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide

C19H16N6O — CID 170352278

IUPAC3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc(-c3ccnc(N)c3)cc3c(N)n[nH]c23)c1
InChIInChI=1S/C19H16N6O/c20-16-9-10(4-5-23-16)13-7-14(17-15(8-13)18(21)25-24-17)11-2-1-3-12(6-11)19(22)26/h1-9H,(H2,20,23)(H2,22,26)(H3,21,24,25)
InChIKeyLAENXIYQDATTNU-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.56
Rot. Bonds3

About 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide

3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide (PubChem CID 170352278) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide.

Molecular Properties

Compound Name3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide
PubChem CID170352278
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc(-c3ccnc(N)c3)cc3c(N)n[nH]c23)c1
InChIInChI=1S/C19H16N6O/c20-16-9-10(4-5-23-16)13-7-14(17-15(8-13)18(21)25-24-17)11-2-1-3-12(6-11)19(22)26/h1-9H,(H2,20,23)(H2,22,26)(H3,21,24,25)
InChIKeyLAENXIYQDATTNU-UHFFFAOYSA-N
XLogP2.56
TPSA136.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-4-pyridinyl)-7-(3-fluorophenyl)-1H-indazol-3-amine
CID 170351905
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]phenol
CID 170352094
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
CID 170352013
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422415
3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
CID 25106949
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
3-pyrimidin-4-ylbenzamide
CID 67036490
3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
CID 57333983
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 175580971

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide?
The IUPAC name of 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide (CID 170352278) is 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide.
What is the SMILES notation for 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide?
The canonical SMILES for 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide is NC(=O)c1cccc(-c2cc(-c3ccnc(N)c3)cc3c(N)n[nH]c23)c1.
What is the InChIKey of 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide?
The InChIKey is LAENXIYQDATTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-16-9-10(4-5-23-16)13-7-14(17-15(8-13)18(21)25-24-17)11-2-1-3-12(6-11)19(22)26/h1-9H,(H2,20,23)(H2,22,26)(H3,21,24,25).
What are the key properties of 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide?
3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide is sourced from PubChem (CID 170352278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).