N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide

C21H19ClN6O — CID 137430363

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H19ClN6O/c1-3-16(29)28(2)21-20(23)25-18(12-7-5-4-6-8-12)19(26-21)13-9-14-11-24-27-17(14)15(22)10-13/h4-11H,3H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyPEHUPDNDPZAYOL-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.30
Rot. Bonds4

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide (PubChem CID 137430363) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
PubChem CID137430363
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C21H19ClN6O/c1-3-16(29)28(2)21-20(23)25-18(12-7-5-4-6-8-12)19(26-21)13-9-14-11-24-27-17(14)15(22)10-13/h4-11H,3H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyPEHUPDNDPZAYOL-UHFFFAOYSA-N
XLogP4.30
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide 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 N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide (CID 137430363) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide is CCC(=O)N(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
The InChIKey is PEHUPDNDPZAYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-3-16(29)28(2)21-20(23)25-18(12-7-5-4-6-8-12)19(26-21)13-9-14-11-24-27-17(14)15(22)10-13/h4-11H,3H2,1-2H3,(H2,23,25)(H,24,27).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide has a molecular weight of 406.88 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 137430363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).