1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea

C23H22ClN7O2 — CID 137430467

IUPAC1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)NC1CCOCC1
InChIInChI=1S/C23H22ClN7O2/c24-17-11-14(10-15-12-26-31-18(15)17)20-19(13-4-2-1-3-5-13)28-21(25)22(29-20)30-23(32)27-16-6-8-33-9-7-16/h1-5,10-12,16H,6-9H2,(H2,25,28)(H,26,31)(H2,27,29,30,32)
InChIKeyQFOMEHMEQLXFSQ-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.22
Rot. Bonds4

About 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea

1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea (PubChem CID 137430467) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
PubChem CID137430467
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Name1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)NC1CCOCC1
InChIInChI=1S/C23H22ClN7O2/c24-17-11-14(10-15-12-26-31-18(15)17)20-19(13-4-2-1-3-5-13)28-21(25)22(29-20)30-23(32)27-16-6-8-33-9-7-16/h1-5,10-12,16H,6-9H2,(H2,25,28)(H,26,31)(H2,27,29,30,32)
InChIKeyQFOMEHMEQLXFSQ-UHFFFAOYSA-N
XLogP4.22
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea (CID 137430467) is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)NC1CCOCC1.
What is the InChIKey of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
The InChIKey is QFOMEHMEQLXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c24-17-11-14(10-15-12-26-31-18(15)17)20-19(13-4-2-1-3-5-13)28-21(25)22(29-20)30-23(32)27-16-6-8-33-9-7-16/h1-5,10-12,16H,6-9H2,(H2,25,28)(H,26,31)(H2,27,29,30,32).
What are the key properties of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea?
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea has a molecular weight of 463.93 g/mol, XLogP of 4.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 137430467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).