N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide

C19H15N5O — CID 171349998

IUPACN-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
SMILESNc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C19H15N5O/c20-15-8-14(10-21-11-15)13-6-7-17-16(9-13)18(24-23-17)22-19(25)12-4-2-1-3-5-12/h1-11H,20H2,(H2,22,23,24,25)
InChIKeyDMMXIPQFQKQIEY-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

About N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide

N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide (PubChem CID 171349998) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
PubChem CID171349998
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
SMILESNc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1
InChIInChI=1S/C19H15N5O/c20-15-8-14(10-21-11-15)13-6-7-17-16(9-13)18(24-23-17)22-19(25)12-4-2-1-3-5-12/h1-11H,20H2,(H2,22,23,24,25)
InChIKeyDMMXIPQFQKQIEY-UHFFFAOYSA-N
XLogP3.46
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide (CID 171349998) is N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide is Nc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1.
What is the InChIKey of N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide?
The InChIKey is DMMXIPQFQKQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-15-8-14(10-21-11-15)13-6-7-17-16(9-13)18(24-23-17)22-19(25)12-4-2-1-3-5-12/h1-11H,20H2,(H2,22,23,24,25).
What are the key properties of N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide?
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 171349998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).