(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide

C14H17N7O2 — CID 177155494

IUPAC(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide
SMILESC/N=C(N)/C(C(N)=O)=C(\N)c1ccc(CNC=O)c2[nH]ncc12
InChIInChI=1S/C14H17N7O2/c1-18-13(16)10(14(17)23)11(15)8-3-2-7(4-19-6-22)12-9(8)5-20-21-12/h2-3,5-6H,4,15H2,1H3,(H2,16,18)(H2,17,23)(H,19,22)(H,20,21)/b11-10+
InChIKeyRTDDYWKAPYKXSL-ZHACJKMWSA-N
MW315.34 g/mol
LogP-1.05
Rot. Bonds6

About (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide

(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide (PubChem CID 177155494) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide
PubChem CID177155494
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide
SMILESC/N=C(N)/C(C(N)=O)=C(\N)c1ccc(CNC=O)c2[nH]ncc12
InChIInChI=1S/C14H17N7O2/c1-18-13(16)10(14(17)23)11(15)8-3-2-7(4-19-6-22)12-9(8)5-20-21-12/h2-3,5-6H,4,15H2,1H3,(H2,16,18)(H2,17,23)(H,19,22)(H,20,21)/b11-10+
InChIKeyRTDDYWKAPYKXSL-ZHACJKMWSA-N
XLogP-1.05
TPSA165.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide?
The IUPAC name of (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide (CID 177155494) is (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide.
What is the SMILES notation for (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide?
The canonical SMILES for (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide is C/N=C(N)/C(C(N)=O)=C(\N)c1ccc(CNC=O)c2[nH]ncc12.
What is the InChIKey of (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide?
The InChIKey is RTDDYWKAPYKXSL-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-18-13(16)10(14(17)23)11(15)8-3-2-7(4-19-6-22)12-9(8)5-20-21-12/h2-3,5-6H,4,15H2,1H3,(H2,16,18)(H2,17,23)(H,19,22)(H,20,21)/b11-10+.
What are the key properties of (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide?
(E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide has a molecular weight of 315.34 g/mol, XLogP of -1.05, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-[7-(formamidomethyl)-1H-indazol-4-yl]-2-(N'-methylcarbamimidoyl)prop-2-enamide is sourced from PubChem (CID 177155494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).