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

C22H19ClN6O — CID 137430366

IUPACN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCC1
InChIInChI=1S/C22H19ClN6O/c23-16-10-14(9-15-11-25-29-17(15)16)19-18(12-5-2-1-3-6-12)26-20(24)21(27-19)28-22(30)13-7-4-8-13/h1-3,5-6,9-11,13H,4,7-8H2,(H2,24,26)(H,25,29)(H,27,28,30)
InChIKeyVRSWTXVIEKQFCJ-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.66
Rot. Bonds4

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

N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide (PubChem CID 137430366) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
PubChem CID137430366
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC NameN-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCC1
InChIInChI=1S/C22H19ClN6O/c23-16-10-14(9-15-11-25-29-17(15)16)19-18(12-5-2-1-3-6-12)26-20(24)21(27-19)28-22(30)13-7-4-8-13/h1-3,5-6,9-11,13H,4,7-8H2,(H2,24,26)(H,25,29)(H,27,28,30)
InChIKeyVRSWTXVIEKQFCJ-UHFFFAOYSA-N
XLogP4.66
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide (CID 137430366) is N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NC(=O)C1CCC1.
What is the InChIKey of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
The InChIKey is VRSWTXVIEKQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-16-10-14(9-15-11-25-29-17(15)16)19-18(12-5-2-1-3-6-12)26-20(24)21(27-19)28-22(30)13-7-4-8-13/h1-3,5-6,9-11,13H,4,7-8H2,(H2,24,26)(H,25,29)(H,27,28,30).
What are the key properties of N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide?
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]cyclobutanecarboxamide has a molecular weight of 418.89 g/mol, XLogP of 4.66, 4 rotatable bonds, 3 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]cyclobutanecarboxamide is sourced from PubChem (CID 137430366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).