N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide

C23H21ClN6O2 — CID 137430367

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCOCC1
InChIInChI=1S/C23H21ClN6O2/c24-17-11-15(10-16-12-26-30-18(16)17)20-19(13-4-2-1-3-5-13)27-21(25)22(28-20)29-23(31)14-6-8-32-9-7-14/h1-5,10-12,14H,6-9H2,(H2,25,27)(H,26,30)(H,28,29,31)
InChIKeyBMXJURVZRNYLGM-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.29
Rot. Bonds4

About N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide (PubChem CID 137430367) has the molecular formula C23H21ClN6O2 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
PubChem CID137430367
Molecular FormulaC23H21ClN6O2
Molecular Weight448.91 g/mol
Exact Mass448.14
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCOCC1
InChIInChI=1S/C23H21ClN6O2/c24-17-11-15(10-16-12-26-30-18(16)17)20-19(13-4-2-1-3-5-13)27-21(25)22(28-20)29-23(31)14-6-8-32-9-7-14/h1-5,10-12,14H,6-9H2,(H2,25,27)(H,26,30)(H,28,29,31)
InChIKeyBMXJURVZRNYLGM-UHFFFAOYSA-N
XLogP4.29
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430364
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide
CID 157293811
5-(7-chloro-1H-indazol-5-yl)-3-N-cyclohexyl-6-phenylpyrazine-2,3-diamine
CID 137431895
oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
CID 137431911
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-(1-methylpyrrol-3-yl)-5-phenylpyrazine-2-carboxamide
CID 137430935
5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine
CID 137430826
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-prop-1-en-2-ylpyrazin-2-amine
CID 137431040
5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine
CID 137430974
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-yloxypyrazin-2-amine
CID 137431644

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide (CID 137430367) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCOCC1.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide?
The InChIKey is BMXJURVZRNYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2/c24-17-11-15(10-16-12-26-30-18(16)17)20-19(13-4-2-1-3-5-13)27-21(25)22(28-20)29-23(31)14-6-8-32-9-7-14/h1-5,10-12,14H,6-9H2,(H2,25,27)(H,26,30)(H,28,29,31).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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]oxane-4-carboxamide is sourced from PubChem (CID 137430367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).